data_2ebi_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 2ebi _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 ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ARG . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' A' ' 115' ' ' LEU . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 52.2 t60 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 16.7 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.517 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.508 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.465 ' CZ2' HD22 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.465 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.566 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.566 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.525 ' OE2' ' CD1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 106' ' ' PHE . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.525 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.8 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.502 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.529 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.4 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 107' ' ' ASN . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 106' ' ' PHE . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 99' ' ' ARG . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' HE1' ' A' ' 102' ' ' MET . 7.2 pt20 -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.461 HG13 ' CE ' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.449 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 130' ' ' ARG . 38.9 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' SER . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CE2' ' CB ' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.506 ' CD2' ' N ' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.491 ' CB ' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.41 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 97' ' ' MET . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 101' ' ' GLY . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.523 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.491 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.453 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.497 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 11.5 p-80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' A' ' 114' ' ' HIS . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.423 ' HE3' ' NE2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 11.1 t60 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.553 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.423 ' NE2' ' HE3' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.553 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.443 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 31.4 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.457 ' CG2' ' OE2' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.448 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.467 ' CD1' ' CD1' ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.8 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 11.5 mm-40 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.517 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CB ' HD11 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 115' ' ' LEU . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 106' ' ' PHE . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.417 ' CD ' ' HE2' ' A' ' 102' ' ' MET . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG1' ' SD ' ' A' ' 102' ' ' MET . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.75 0.309 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 115' ' ' LEU . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 106' ' ' PHE . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.451 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.419 HG23 ' CD ' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HG3' ' CG2' ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 100' ' ' ARG . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' NE2' ' A' ' 118' ' ' GLN . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.437 ' NE2' ' CD2' ' A' ' 114' ' ' HIS . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.466 ' CZ3' HD21 ' A' ' 95' ' ' LEU . 11.9 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' OE2' ' CD2' ' A' ' 128' ' ' PHE . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.535 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.478 ' CZ ' HD13 ' A' ' 95' ' ' LEU . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' ARG . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 36.9 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.429 HG23 ' NH2' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLN . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.9 mm-40 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.421 ' HE1' ' CD1' ' A' ' 119' ' ' ILE . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 115' ' ' LEU . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 106' ' ' PHE . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.507 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.528 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.512 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 7.6 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 92' ' ' THR . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' GLU . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.512 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.415 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.549 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.4 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 87' ' ' TRP . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 106' ' ' PHE . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.52 ' CD1' HD12 ' A' ' 143' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 139' ' ' TRP . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -88.17 103.0 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -82.6 171.76 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.5 128.53 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 p -149.03 179.4 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -60.53 119.16 7.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ARG . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.553 ' CD1' HD12 ' A' ' 115' ' ' LEU . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 52.2 t60 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.407 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 16.7 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.517 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.508 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.465 ' CZ2' HD22 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.465 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 -59.79 -40.01 86.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' PHE . 15.1 tptm -37.3 138.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -90.68 9.18 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.07 55.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -125.43 159.71 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 152' ' ' HIS . 14.8 p-80 -47.76 -51.13 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 151' ' ' HIS . 41.4 t-80 -106.77 100.06 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -114.47 42.47 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -119.0 97.28 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 142.38 60.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.17 146.53 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -126.05 126.06 5.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.1 t -99.5 159.09 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.61 140.09 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 164.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 7.7 mtt -141.27 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 34.2 m -139.73 147.17 40.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -121.56 160.9 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -166.64 173.61 9.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -117.03 137.35 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 121.53 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -142.19 -176.64 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.93 -39.29 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.38 136.56 33.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 p -128.62 150.28 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -78.22 129.29 34.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.566 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.566 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -55.9 -48.94 74.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.56 ' HE2' ' CD2' ' A' ' 151' ' ' HIS . 6.7 tptm -65.21 100.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -122.41 8.56 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -77.63 57.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 149' ' ' ALA . 22.9 mtpt 35.78 46.65 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.56 ' CD2' ' HE2' ' A' ' 147' ' ' LYS . 22.2 m-70 -85.91 -50.93 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -83.65 87.51 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -106.2 168.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 154' ' ' ARG . 16.6 ttp-105 51.53 44.62 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -69.34 -52.2 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -99.23 134.13 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -109.18 164.61 12.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -85.42 98.24 10.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.95 -47.97 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -111.87 143.51 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.5 ptm -124.26 -37.74 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 163' ' ' TYR . 5.3 t -164.84 146.12 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 162' ' ' SER . 11.4 m-85 -164.97 120.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.479 ' CD2' ' HB2' ' A' ' 166' ' ' GLU . 1.7 t80 -105.51 147.42 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -99.58 40.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tp10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -116.51 86.14 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -90.86 105.5 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.87 171.45 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.4 23.91 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 p -51.51 164.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.96 134.01 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' OE2' ' CD1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 106' ' ' PHE . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.525 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 -54.98 -45.69 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -72.69 125.84 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -62.5 150.59 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.51 153.94 46.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 121.2 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.2 m80 61.31 42.3 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -66.49 144.64 56.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -119.65 163.81 16.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -155.06 159.46 40.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.13 150.85 5.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.551 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -118.86 -50.83 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.91 130.89 4.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.6 p -173.64 128.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.38 112.18 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -113.08 85.15 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -177.04 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 64.54 44.92 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -104.23 148.27 26.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -131.95 161.38 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -70.49 139.4 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -72.16 115.19 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -94.55 88.05 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.35 121.36 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -88.38 36.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -34.73 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.49 115.28 29.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.8 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.502 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.529 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 -52.05 -46.1 64.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -96.27 175.21 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.8 126.04 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -169.36 162.83 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.27 154.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -104.7 44.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -94.87 42.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.94 110.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.1 tpt85 -170.47 139.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.35 134.28 3.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -171.64 165.69 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 165.59 172.63 33.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.4 p -151.25 171.81 16.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -120.43 168.75 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.16 171.5 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.9 ptm -69.34 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.7 t -145.92 176.99 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -48.35 163.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -122.51 165.85 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -47.32 162.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 1.9 pptp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -47.71 167.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -10.8 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.2 145.02 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 86' ' ' THR . 18.4 pt-20 -112.91 30.3 7.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' GLU . 93.5 m -36.02 -42.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -106.96 112.58 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.445 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' SER . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 107' ' ' ASN . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 106' ' ' PHE . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.457 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.553 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 -46.79 -43.15 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 52.9 tttt 59.28 42.18 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -114.73 5.28 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -104.38 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -38.99 -64.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 151' ' ' HIS . 42.0 p-80 -38.17 114.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 153' ' ' ASP . 66.4 m80 -78.14 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 152' ' ' HIS . 15.7 m-20 -173.31 176.09 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -160.41 170.45 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.92 161.0 34.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.94 151.24 38.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -42.8 134.45 4.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.0 t -150.21 173.65 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -147.54 151.9 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -117.12 174.47 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmm -99.58 168.31 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 54.4 p -144.94 167.29 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -126.93 156.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -124.65 177.37 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -94.44 143.64 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 165' ' ' LYS . 17.8 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -59.59 99.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -146.55 164.05 33.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.34 94.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -71.01 135.86 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.4 p -64.77 -44.63 89.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 99' ' ' ARG . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.461 ' CE ' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.452 ' CG ' ' HE1' ' A' ' 102' ' ' MET . 7.2 pt20 -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.461 HG13 ' CE ' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.449 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 -55.43 -58.6 7.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -123.02 102.86 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -98.11 132.44 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -95.41 43.81 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -116.31 161.36 19.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -99.7 -53.37 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -155.19 153.45 30.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.08 92.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.63 152.32 42.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.91 -141.06 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 68.08 41.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -47.17 -85.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 t -172.13 173.56 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -110.27 166.61 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -113.86 158.64 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 18.9 tpp -136.98 135.53 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.6 m -162.73 176.77 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -140.59 137.45 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -128.07 41.93 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 21.3 tptm -59.34 157.37 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 16.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.63 146.07 30.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -116.63 154.55 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.32 172.94 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 61.43 43.16 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -89.33 -46.27 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 130' ' ' ARG . 38.9 m95 -73.0 128.92 36.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' SER . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.491 ' CE2' ' CB ' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.506 ' CD2' ' N ' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.491 ' CB ' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.465 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.41 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.41 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.92 -44.59 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm 51.37 45.22 28.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -59.47 142.98 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.95 101.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.21 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.505 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 9.2 p80 -62.13 94.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -74.5 165.89 24.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -123.56 -52.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.47 149.18 33.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.4 58.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -107.39 170.07 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 67.29 89.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.2 t -80.21 -54.56 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -146.31 140.55 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -111.39 164.96 12.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.1 ttp -161.63 167.93 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.8 t -158.21 175.96 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.23 164.54 30.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -103.26 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 19.5 tptm -143.69 146.62 33.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 82' ' ' LYS . 21.9 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 2.4 mppt? 59.02 41.64 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -81.75 -22.44 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.49 87.74 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.88 113.92 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 p -83.3 -44.59 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 -89.54 133.96 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 97' ' ' MET . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 101' ' ' GLY . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.567 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.523 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.491 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.453 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.536 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 -71.03 -46.92 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -59.96 -15.93 26.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 149' ' ' ALA . 6.5 ttpt -118.39 150.63 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 148' ' ' LYS . . . -34.3 121.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.061 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 151.36 47.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.0 53.34 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 149' ' ' ALA . 7.2 m80 -119.59 174.45 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.73 61.43 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -139.56 106.7 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.7 -68.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -46.32 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.25 -100.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.1 m -154.11 149.49 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.19 154.87 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 161' ' ' MET . 0.1 OUTLIER -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.424 ' N ' ' HD2' ' A' ' 160' ' ' LYS . 66.7 mtm -112.78 166.42 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.9 t -138.34 173.63 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -130.98 175.27 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 56.0 t80 -103.03 168.81 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 18.2 mttp -68.84 178.0 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 165' ' ' LYS . 86.5 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -18.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 134.48 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.51 137.18 54.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -130.37 163.47 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.497 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 -61.47 140.86 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.438 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 11.5 p-80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' A' ' 114' ' ' HIS . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.497 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 99' ' ' ARG . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 -48.76 -50.37 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -57.2 146.09 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -47.7 138.83 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.93 131.92 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -64.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -96.97 162.71 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -143.56 108.97 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -44.02 160.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -155.36 151.74 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -168.45 158.41 31.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -163.44 175.55 10.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -154.56 -85.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t 54.85 43.78 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -83.78 142.12 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 161' ' ' MET . 5.2 tppp? -155.72 151.02 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.46 ' N ' ' HG3' ' A' ' 160' ' ' LYS . 30.9 ttp -155.88 148.81 24.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -155.24 159.84 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 164' ' ' TYR . 91.1 t80 -171.53 158.71 5.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 163' ' ' TYR . 1.4 t80 -130.18 166.32 20.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -135.69 170.75 15.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.432 ' OE1' ' C ' ' A' ' 166' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -108.05 138.07 44.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 18.6 ttm105 -120.19 85.98 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.39 143.69 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.24 36.81 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.0 p -57.46 -39.72 76.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -71.47 136.3 47.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.423 ' HE3' ' NE2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 11.1 t60 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.553 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.423 ' NE2' ' HE3' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.549 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.553 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.443 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.443 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 148' ' ' LYS . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -44.25 -58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -149.64 108.16 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 144' ' ' LYS . 2.5 mmmm -151.38 149.25 29.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.33 38.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -90.75 84.63 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.47 125.89 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' 153' ' ' ASP . 50.9 t60 -117.69 173.85 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 152' ' ' HIS . 21.3 t0 -169.6 156.98 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -129.31 155.86 44.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -129.62 -146.33 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.36 166.83 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.92 -143.1 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.9 m -164.47 162.21 21.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -121.9 -175.99 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -150.38 171.49 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.0 mtm -75.12 162.88 28.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.5 t -165.87 177.08 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.25 174.31 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 32.4 t80 -104.65 168.21 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 0.9 OUTLIER -149.79 154.41 38.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -80.94 140.98 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 61.72 41.66 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.46 159.09 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -48.97 149.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -137.38 133.2 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -61.62 109.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.457 ' CG2' ' OE2' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' CA ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.448 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.494 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.467 ' CD1' ' CD1' ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.409 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 -56.69 -45.97 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 146' ' ' PHE . 11.2 mtpp -37.31 -46.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -53.65 169.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.97 45.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.69 117.43 19.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.504 ' O ' ' CD2' ' A' ' 152' ' ' HIS . 5.8 p80 -171.63 151.53 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 151' ' ' HIS . 26.1 m170 -160.58 159.54 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -157.52 111.94 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -53.6 -48.23 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.69 -171.13 18.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -161.42 120.41 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -131.28 166.3 22.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 65.6 m -132.81 135.01 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -122.16 147.56 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.2 ptm -83.78 162.6 20.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 30.5 p -113.59 147.85 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -49.53 174.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -112.41 173.23 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 166' ' ' GLU . 13.6 ttmm -122.02 150.65 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 10.4 mp0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -80.7 137.08 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.67 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.25 169.56 20.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -125.97 41.28 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -55.61 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -97.53 145.26 26.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 11.5 mm-40 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CB ' HD11 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.525 ' CD1' HD12 ' A' ' 115' ' ' LEU . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.525 HD12 ' CD1' ' A' ' 106' ' ' PHE . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.417 ' CD ' ' HE2' ' A' ' 102' ' ' MET . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG1' ' SD ' ' A' ' 102' ' ' MET . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.61 -50.77 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -51.32 161.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 160.15 34.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.87 36.16 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -104.86 -50.72 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -141.3 131.51 24.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -114.09 157.26 22.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -169.72 148.41 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.95 85.58 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.29 153.2 21.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -158.83 164.41 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -151.24 115.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.4 m -75.11 -58.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . 68.78 35.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -138.35 129.47 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtm -144.88 176.84 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.9 t -147.28 160.75 42.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -90.65 164.24 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -171.35 152.3 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -148.42 168.02 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -92.68 86.46 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -94.44 137.41 33.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.04 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -111.84 102.8 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.96 149.62 29.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -97.12 134.22 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 115' ' ' LEU . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.479 HD13 ' CD1' ' A' ' 106' ' ' PHE . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.451 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.402 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 -67.27 -36.97 82.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.62 54.99 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.406 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -96.64 146.86 24.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -41.65 123.54 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 152' ' ' HIS . 15.2 tptm -136.29 156.25 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 38.4 m-70 -86.22 39.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -79.53 90.67 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -116.79 -43.42 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 155' ' ' GLY . 2.8 ptp180 -47.88 -31.76 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 154' ' ' ARG . . . 35.4 54.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 155' ' ' GLY . 19.6 p-10 -35.83 134.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.84 138.64 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.541 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 m -89.6 -58.19 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.23 130.41 9.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' MET . 20.5 ttmt -78.22 139.19 38.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 7.8 ptt? -36.08 135.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.1 t -151.18 132.95 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.88 141.79 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -101.65 160.57 14.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -53.37 160.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.04 119.37 38.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.99 100.55 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 165.85 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -83.73 -51.78 6.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.449 ' O ' ' NH2' ' A' ' 130' ' ' ARG . 95.0 m -41.76 -46.16 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -105.65 113.62 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.419 HG23 ' CD ' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.503 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 86' ' ' THR . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 -61.47 -47.5 85.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -73.52 -72.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -97.71 151.44 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.13 78.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -143.24 108.52 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.462 ' C ' ' CG ' ' A' ' 152' ' ' HIS . 9.5 t-160 -129.02 -52.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 151' ' ' HIS . 4.1 p80 42.69 43.18 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -109.09 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -110.03 -47.03 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.63 101.66 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -174.79 161.93 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 100.4 76.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 110.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -164.3 110.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 160' ' ' LYS . 1.1 tmmt? -135.83 131.38 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 23.9 mtp -146.62 136.76 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 87.0 p -170.1 168.05 8.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -170.97 153.73 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -108.42 164.99 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 133.29 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -100.62 167.66 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.32 159.65 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.29 63.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 42.3 37.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.6 m -64.8 -59.3 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 -77.23 133.04 38.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HG3' ' CG2' ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 100' ' ' ARG . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' NE2' ' A' ' 118' ' ' GLN . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.437 ' NE2' ' CD2' ' A' ' 114' ' ' HIS . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -53.51 -44.4 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp 66.51 46.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -54.07 158.02 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 73.47 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.12 -177.78 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -52.19 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -152.28 145.59 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.3 86.25 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 160.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.16 95.19 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -164.63 160.12 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.5 142.16 6.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.5 p -162.58 157.25 21.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -170.08 162.56 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.4 172.76 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -151.75 177.17 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.3 t -155.65 176.73 12.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -171.25 158.06 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -141.57 168.84 18.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -93.06 171.16 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.89 -44.33 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 2.7 ptp180 -44.63 -25.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.49 93.01 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.13 89.92 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.9 m -119.9 -45.44 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.466 ' CZ3' HD21 ' A' ' 95' ' ' LEU . 11.9 m95 -115.11 122.93 47.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' OE2' ' CD2' ' A' ' 128' ' ' PHE . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.535 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.478 HD13 ' CZ ' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.478 ' CZ ' HD13 ' A' ' 95' ' ' LEU . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' ARG . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 36.9 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.429 HG23 ' NH2' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.07 -43.79 51.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.0 tttm 54.85 43.17 30.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -41.14 142.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.02 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 158.84 41.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.11 105.01 11.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -76.27 159.36 30.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.88 159.45 31.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -146.6 157.71 43.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -117.3 -146.57 8.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -140.38 169.84 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.97 -163.7 31.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.0 p -112.86 168.36 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.3 173.25 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -88.84 116.65 27.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.41 135.88 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 50.9 m -159.63 168.54 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -174.36 140.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.5 OUTLIER -172.22 135.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -99.31 142.94 30.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' ARG . 9.3 tppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LYS . 74.5 mtm180 -116.54 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.26 127.33 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.65 83.76 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.4 p -132.82 161.43 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -64.68 135.39 55.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 89' ' ' GLN . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.9 mm-40 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.421 ' HE1' ' CD1' ' A' ' 119' ' ' ILE . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 115' ' ' LEU . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 106' ' ' PHE . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.507 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.4 -45.9 65.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -92.71 154.37 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.16 152.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -124.68 138.37 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -109.97 -27.67 9.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -121.84 86.28 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -83.99 146.47 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.1 139.69 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 154' ' ' ARG . 4.8 mmm180 -104.0 -46.3 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 61.63 115.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -156.08 164.19 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 150.91 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 95.4 p -144.39 129.45 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -167.35 109.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -134.77 141.83 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.4 ttp -172.44 161.76 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.4 t -173.54 155.36 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -170.77 148.11 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.06 172.81 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -154.27 131.69 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.89 156.61 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -103.73 152.05 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.42 91.3 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.04 129.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.5 m -120.44 98.45 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.528 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 -90.92 139.81 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.525 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.525 ' CD2' ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.528 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.484 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.522 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -64.13 -50.86 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' LYS . 17.1 ptmt -64.37 167.24 7.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -34.68 132.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.75 -179.61 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -119.7 99.07 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -169.04 159.97 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -151.84 124.6 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -163.67 119.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -172.32 108.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.58 134.59 6.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -169.6 -178.11 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -176.29 169.73 42.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.1 t -174.13 162.03 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.59 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -173.38 123.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmt -115.11 -176.89 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.1 m -157.05 172.18 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -148.11 175.15 11.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.22 175.89 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -107.56 174.06 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -136.63 108.91 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -163.62 121.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.56 130.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 p -105.47 -29.87 9.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.512 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 7.6 m95 -104.52 146.32 29.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 92' ' ' THR . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 91' ' ' GLU . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.512 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.415 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.549 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -56.37 -44.95 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 148' ' ' LYS . 2.1 tppp? -83.82 131.79 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 147' ' ' LYS . 19.1 mmmt -37.22 129.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -102.99 42.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -106.55 134.88 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.41 150.64 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -119.56 164.41 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.97 116.43 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -128.3 129.79 6.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -68.08 -46.04 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 91.54 158.71 34.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.5 t -161.95 159.25 26.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -148.64 149.82 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -143.36 176.59 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttt -103.62 116.63 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 94.0 p -41.63 133.94 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -156.33 148.7 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 164' ' ' TYR . 0.1 OUTLIER -141.83 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -54.98 175.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -115.79 100.72 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -150.86 172.55 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.77 155.13 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.3 p -119.23 153.07 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.4 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 -83.67 137.89 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HB3' ' CZ3' ' A' ' 87' ' ' TRP . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.404 ' NH1' ' HB3' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD11 ' CD2' ' A' ' 106' ' ' PHE . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.423 ' N ' ' CG ' ' A' ' 118' ' ' GLN . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.433 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.52 ' CD1' HD12 ' A' ' 143' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 139' ' ' TRP . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 -48.28 -46.4 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -73.22 108.46 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.42 110.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.08 126.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.2 tttt 41.26 41.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -51.22 -60.76 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 152' ' ' HIS . 43.1 p-80 -63.38 102.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -118.56 -44.94 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -96.72 -58.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 136.13 -54.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -162.9 157.17 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 158' ' ' SER . . . -143.59 -78.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 157' ' ' GLY . 21.7 m 35.94 46.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.85 142.13 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 -175.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.4 ttt -163.19 152.1 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.4 p -157.88 158.87 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -158.44 146.57 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -166.48 138.4 3.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 162.72 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG22 ' OE2' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ARG . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 12.2 t-80 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 10.3 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.539 HD13 ' HE ' ' A' ' 99' ' ' ARG . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.537 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.522 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.781 ' NE1' HD11 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 139' ' ' TRP . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.781 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 91' ' ' GLU . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 88' ' ' VAL . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.556 ' HB3' HD12 ' A' ' 105' ' ' LEU . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 102' ' ' MET . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.62 ' CD1' HD12 ' A' ' 115' ' ' LEU . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.738 ' HA ' HD12 ' A' ' 142' ' ' LEU . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 139' ' ' TRP . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 91' ' ' GLU . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 108' ' ' THR . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.535 ' HA ' HD12 ' A' ' 119' ' ' ILE . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 116' ' ' TRP . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.546 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.826 ' HA ' HD12 ' A' ' 142' ' ' LEU . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.6 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.406 ' HD2' HD23 ' A' ' 115' ' ' LEU . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 106' ' ' PHE . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.968 ' HA ' HD12 ' A' ' 142' ' ' LEU . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.968 HD12 ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.509 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.4 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.509 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HA ' HG22 ' A' ' 108' ' ' THR . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 108' ' ' THR . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.575 ' HA ' HD12 ' A' ' 142' ' ' LEU . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.59 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.59 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.61 ' HE1' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.628 ' CD1' HD12 ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.628 HD12 ' CD1' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.61 HG13 ' HE1' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.584 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 142' ' ' LEU . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 139' ' ' TRP . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 38.9 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 ' CD ' ' A' ' 91' ' ' GLU . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.612 ' CD ' HG22 ' A' ' 88' ' ' VAL . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.486 ' HE1' HG13 ' A' ' 119' ' ' ILE . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.486 HG13 ' HE1' ' A' ' 102' ' ' MET . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . 0.434 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.431 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 132' ' ' PRO . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.505 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.588 HG23 ' H ' ' A' ' 91' ' ' GLU . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.485 HG22 ' HE ' ' A' ' 100' ' ' ARG . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 96' ' ' ILE . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' HD22 ' A' ' 115' ' ' LEU . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.693 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.538 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.505 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.79 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 139' ' ' TRP . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.493 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.626 ' HE3' HD22 ' A' ' 115' ' ' LEU . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 102' ' ' MET . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.54 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.9 p80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.626 HD22 ' HE3' ' A' ' 102' ' ' MET . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.507 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.479 ' NE1' HD11 ' A' ' 143' ' ' LEU . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 ' NE1' ' A' ' 139' ' ' TRP . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.81 ' HE1' ' HB2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.524 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 4.3 t-80 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.611 ' CZ2' HG23 ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.81 ' HB2' ' HE1' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.611 HG23 ' CZ2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.748 ' HA ' HD12 ' A' ' 142' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 139' ' ' TRP . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.637 HD11 ' NE1' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.668 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.49 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.515 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HE ' ' A' ' 100' ' ' ARG . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.433 ' HE ' HG22 ' A' ' 96' ' ' ILE . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.891 ' CD1' HD11 ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 139' ' ' TRP . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 12.8 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 mm100 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD11 ' A' ' 119' ' ' ILE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.684 HD22 HD13 ' A' ' 105' ' ' LEU . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.703 HD11 ' NH1' ' A' ' 99' ' ' ARG . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.689 ' CD1' HD11 ' A' ' 143' ' ' LEU . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.689 HD11 ' CD1' ' A' ' 139' ' ' TRP . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.75 0.309 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.621 ' HB3' HD12 ' A' ' 105' ' ' LEU . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 102' ' ' MET . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 139' ' ' TRP . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.519 HG22 ' OE2' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD11 HH12 ' A' ' 99' ' ' ARG . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.587 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.63 HD11 ' NH2' ' A' ' 99' ' ' ARG . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.63 ' NH2' HD11 ' A' ' 95' ' ' LEU . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 109' ' ' SER . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.535 ' N ' HG23 ' A' ' 108' ' ' THR . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.498 HD13 ' HE ' ' A' ' 99' ' ' ARG . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.846 ' HA ' HD12 ' A' ' 142' ' ' LEU . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 139' ' ' TRP . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 11.9 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 ' NH1' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.758 ' HE ' HD13 ' A' ' 119' ' ' ILE . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 105' ' ' LEU . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 102' ' ' MET . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 33.0 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD13 ' HE ' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.494 ' HE3' HD21 ' A' ' 142' ' ' LEU . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 142' ' ' LEU . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 91' ' ' GLU . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 15.1 mm100 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.677 ' HE1' ' O ' ' A' ' 115' ' ' LEU . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' HB2' HD13 ' A' ' 115' ' ' LEU . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.656 ' HE2' HD11 ' A' ' 119' ' ' ILE . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.677 ' O ' ' HE1' ' A' ' 102' ' ' MET . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.591 ' HA ' HD12 ' A' ' 119' ' ' ILE . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.656 HD11 ' HE2' ' A' ' 106' ' ' PHE . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.527 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.613 HG22 ' CD ' ' A' ' 91' ' ' GLU . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.613 ' CD ' HG22 ' A' ' 88' ' ' VAL . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.606 ' CD2' HD23 ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.606 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.436 ' HE3' HD21 ' A' ' 142' ' ' LEU . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.627 ' HA ' HD12 ' A' ' 142' ' ' LEU . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.424 ' CE2' ' CG ' ' A' ' 138' ' ' LYS . 7.6 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 ' OE1' ' A' ' 91' ' ' GLU . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.633 ' OE1' HG22 ' A' ' 88' ' ' VAL . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' CD ' ' A' ' 100' ' ' ARG . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' CD ' HG22 ' A' ' 96' ' ' ILE . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.474 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.568 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 91' ' ' GLU . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.728 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.468 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 99' ' ' ARG . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.45 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.776 ' HA ' HD12 ' A' ' 142' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.556 ' HA ' HD12 ' A' ' 143' ' ' LEU . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 139' ' ' TRP . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 140' ' ' ARG . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -88.17 103.0 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -82.6 171.76 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.5 128.53 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 p -149.03 179.4 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -60.53 119.16 7.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG22 ' OE2' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ARG . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 12.2 t-80 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 10.3 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.539 HD13 ' HE ' ' A' ' 99' ' ' ARG . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.537 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.522 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.781 ' NE1' HD11 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 139' ' ' TRP . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.781 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 -59.79 -40.01 86.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' PHE . 15.1 tptm -37.3 138.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -90.68 9.18 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.07 55.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -125.43 159.71 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 152' ' ' HIS . 14.8 p-80 -47.76 -51.13 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 151' ' ' HIS . 41.4 t-80 -106.77 100.06 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -114.47 42.47 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -119.0 97.28 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 142.38 60.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.17 146.53 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -126.05 126.06 5.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.1 t -99.5 159.09 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.61 140.09 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 164.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 7.7 mtt -141.27 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 34.2 m -139.73 147.17 40.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -121.56 160.9 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -166.64 173.61 9.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -117.03 137.35 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 121.53 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -142.19 -176.64 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.93 -39.29 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.38 136.56 33.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 p -128.62 150.28 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -78.22 129.29 34.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 91' ' ' GLU . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 88' ' ' VAL . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.556 ' HB3' HD12 ' A' ' 105' ' ' LEU . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 102' ' ' MET . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.62 ' CD1' HD12 ' A' ' 115' ' ' LEU . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.738 ' HA ' HD12 ' A' ' 142' ' ' LEU . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 139' ' ' TRP . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -55.9 -48.94 74.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.632 ' HE2' ' CE1' ' A' ' 151' ' ' HIS . 6.7 tptm -65.21 100.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -122.41 8.56 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -77.63 57.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 149' ' ' ALA . 22.9 mtpt 35.78 46.65 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.632 ' CE1' ' HE2' ' A' ' 147' ' ' LYS . 11.7 m80 -85.91 -50.93 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -83.65 87.51 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -106.2 168.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 154' ' ' ARG . 16.6 ttp-105 51.53 44.62 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -69.34 -52.2 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -99.23 134.13 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -109.18 164.61 12.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -85.42 98.24 10.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.95 -47.97 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -111.87 143.51 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.5 ptm -124.26 -37.74 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 163' ' ' TYR . 5.3 t -164.84 146.12 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 162' ' ' SER . 11.4 m-85 -164.97 120.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 166' ' ' GLU . 1.7 t80 -105.51 147.42 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -99.58 40.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tp10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -116.51 86.14 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -90.86 105.5 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.87 171.45 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.4 23.91 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 p -51.51 164.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.96 134.01 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 91' ' ' GLU . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 108' ' ' THR . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.535 ' HA ' HD12 ' A' ' 119' ' ' ILE . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 116' ' ' TRP . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.546 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.826 ' HA ' HD12 ' A' ' 142' ' ' LEU . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 -54.98 -45.69 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -72.69 125.84 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -62.5 150.59 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.51 153.94 46.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 121.2 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.2 m80 61.31 42.3 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -66.49 144.64 56.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -119.65 163.81 16.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -155.06 159.46 40.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.13 150.85 5.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.551 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -118.86 -50.83 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.91 130.89 4.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.6 p -173.64 128.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.38 112.18 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -113.08 85.15 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -177.04 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 64.54 44.92 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -104.23 148.27 26.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -131.95 161.38 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -70.49 139.4 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.59 ' HE2' HD23 ' A' ' 142' ' ' LEU . 37.4 mmtm -72.16 115.19 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -94.55 88.05 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.35 121.36 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -88.38 36.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -34.73 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.49 115.28 29.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.6 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.406 ' HD2' HD23 ' A' ' 115' ' ' LEU . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 106' ' ' PHE . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.968 ' HA ' HD12 ' A' ' 142' ' ' LEU . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.968 HD12 ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 -52.05 -46.1 64.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -96.27 175.21 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.8 126.04 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -169.36 162.83 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.27 154.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -104.7 44.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -94.87 42.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.94 110.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.1 tpt85 -170.47 139.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.35 134.28 3.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -171.64 165.69 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 165.59 172.63 33.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.4 p -151.25 171.81 16.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -120.43 168.75 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.16 171.5 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.9 ptm -69.34 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.7 t -145.92 176.99 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -48.35 163.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -122.51 165.85 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -47.32 162.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 1.9 pptp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -47.71 167.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -10.8 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.2 145.02 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 86' ' ' THR . 18.4 pt-20 -112.91 30.3 7.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' GLU . 93.5 m -36.02 -42.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.509 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.4 m95 -106.96 112.58 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.509 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HA ' HG22 ' A' ' 108' ' ' THR . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 108' ' ' THR . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.575 ' HA ' HD12 ' A' ' 142' ' ' LEU . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 -46.79 -43.15 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 52.9 tttt 59.28 42.18 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -114.73 5.28 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.62 ' HB3' ' CD2' ' A' ' 151' ' ' HIS . . . -104.38 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -38.99 -64.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 149' ' ' ALA . 18.3 p80 -38.17 114.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 153' ' ' ASP . 66.4 m80 -78.14 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 152' ' ' HIS . 15.7 m-20 -173.31 176.09 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -160.41 170.45 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.92 161.0 34.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.94 151.24 38.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -42.8 134.45 4.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.0 t -150.21 173.65 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -147.54 151.9 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -117.12 174.47 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmm -99.58 168.31 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 54.4 p -144.94 167.29 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -126.93 156.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -124.65 177.37 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -94.44 143.64 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 165' ' ' LYS . 17.8 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -59.59 99.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -146.55 164.05 33.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.34 94.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -71.01 135.86 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.4 p -64.77 -44.63 89.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.59 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.5 m95 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.59 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.61 ' HE1' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.628 ' CD1' HD12 ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.628 HD12 ' CD1' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.61 HG13 ' HE1' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.584 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 142' ' ' LEU . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 139' ' ' TRP . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 -55.43 -58.6 7.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -123.02 102.86 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -98.11 132.44 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -95.41 43.81 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -116.31 161.36 19.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -99.7 -53.37 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -155.19 153.45 30.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.08 92.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.63 152.32 42.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.91 -141.06 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 68.08 41.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -47.17 -85.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 t -172.13 173.56 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -110.27 166.61 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -113.86 158.64 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 18.9 tpp -136.98 135.53 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.6 m -162.73 176.77 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -140.59 137.45 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -128.07 41.93 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 21.3 tptm -59.34 157.37 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 16.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.63 146.07 30.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -116.63 154.55 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.32 172.94 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 61.43 43.16 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -89.33 -46.27 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 38.9 m95 -73.0 128.92 36.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 ' CD ' ' A' ' 91' ' ' GLU . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.612 ' CD ' HG22 ' A' ' 88' ' ' VAL . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.486 ' HE1' HG13 ' A' ' 119' ' ' ILE . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.486 HG13 ' HE1' ' A' ' 102' ' ' MET . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.434 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.431 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 132' ' ' PRO . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.92 -44.59 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm 51.37 45.22 28.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -59.47 142.98 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.95 101.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.21 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 151' ' ' HIS . 9.2 p80 -62.13 94.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -74.5 165.89 24.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -123.56 -52.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.47 149.18 33.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.4 58.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -107.39 170.07 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 67.29 89.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.2 t -80.21 -54.56 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -146.31 140.55 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -111.39 164.96 12.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.1 ttp -161.63 167.93 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.8 t -158.21 175.96 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.23 164.54 30.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -103.26 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 19.5 tptm -143.69 146.62 33.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 82' ' ' LYS . 21.9 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 2.4 mppt? 59.02 41.64 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -81.75 -22.44 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.49 87.74 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.88 113.92 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 p -83.3 -44.59 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.505 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 -89.54 133.96 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.588 HG23 ' H ' ' A' ' 91' ' ' GLU . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.485 HG22 ' HE ' ' A' ' 100' ' ' ARG . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 96' ' ' ILE . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' HD22 ' A' ' 115' ' ' LEU . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.693 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.538 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.505 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.79 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 139' ' ' TRP . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.493 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 -71.03 -46.92 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -59.96 -15.93 26.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 149' ' ' ALA . 6.5 ttpt -118.39 150.63 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.478 ' N ' ' HG3' ' A' ' 148' ' ' LYS . . . -34.3 121.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.061 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 151.36 47.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.0 53.34 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.46 ' ND1' ' HB1' ' A' ' 149' ' ' ALA . 7.2 m80 -119.59 174.45 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.73 61.43 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -139.56 106.7 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.7 -68.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -46.32 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.25 -100.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.1 m -154.11 149.49 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.19 154.87 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 161' ' ' MET . 0.1 OUTLIER -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.428 ' N ' ' HD2' ' A' ' 160' ' ' LYS . 66.7 mtm -112.78 166.42 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.9 t -138.34 173.63 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -130.98 175.27 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 56.0 t80 -103.03 168.81 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 18.2 mttp -68.84 178.0 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 165' ' ' LYS . 86.5 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -18.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 134.48 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.51 137.18 54.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -130.37 163.47 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 -61.47 140.86 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.626 ' HE3' HD22 ' A' ' 115' ' ' LEU . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 102' ' ' MET . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.54 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.9 p80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.626 HD22 ' HE3' ' A' ' 102' ' ' MET . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.507 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.479 ' NE1' HD11 ' A' ' 143' ' ' LEU . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 ' NE1' ' A' ' 139' ' ' TRP . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 -48.76 -50.37 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -57.2 146.09 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -47.7 138.83 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.93 131.92 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -64.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -96.97 162.71 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -143.56 108.97 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -44.02 160.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -155.36 151.74 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -168.45 158.41 31.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -163.44 175.55 10.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -154.56 -85.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t 54.85 43.78 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -83.78 142.12 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 161' ' ' MET . 5.2 tppp? -155.72 151.02 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 160' ' ' LYS . 30.9 ttp -155.88 148.81 24.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -155.24 159.84 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 164' ' ' TYR . 91.1 t80 -171.53 158.71 5.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 163' ' ' TYR . 1.4 t80 -130.18 166.32 20.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -135.69 170.75 15.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 166' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -108.05 138.07 44.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 18.6 ttm105 -120.19 85.98 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.39 143.69 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.24 36.81 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.0 p -57.46 -39.72 76.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -71.47 136.3 47.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.81 ' HE1' ' HB2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.524 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 4.3 t-80 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.611 ' CZ2' HG23 ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.81 ' HB2' ' HE1' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.611 HG23 ' CZ2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.748 ' HA ' HD12 ' A' ' 142' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 139' ' ' TRP . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.637 HD11 ' NE1' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 148' ' ' LYS . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -44.25 -58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -149.64 108.16 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 144' ' ' LYS . 2.5 mmmm -151.38 149.25 29.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.33 38.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -90.75 84.63 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.47 125.89 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -117.69 173.85 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -169.6 156.98 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -129.31 155.86 44.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -129.62 -146.33 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -134.36 166.83 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 110.927 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.92 -143.1 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.9 m -164.47 162.21 21.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -121.9 -175.99 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -150.38 171.49 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.0 mtm -75.12 162.88 28.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.5 t -165.87 177.08 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.25 174.31 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 32.4 t80 -104.65 168.21 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 0.9 OUTLIER -149.79 154.41 38.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -80.94 140.98 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 61.72 41.66 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.46 159.09 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -48.97 149.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -137.38 133.2 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.668 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -61.62 109.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.49 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.515 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HE ' ' A' ' 100' ' ' ARG . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.433 ' HE ' HG22 ' A' ' 96' ' ' ILE . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.891 ' CD1' HD11 ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 139' ' ' TRP . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 -56.69 -45.97 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 146' ' ' PHE . 11.2 mtpp -37.31 -46.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -53.65 169.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.97 45.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.69 117.43 19.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 152' ' ' HIS . 5.8 p80 -171.63 151.53 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' CG ' ' O ' ' A' ' 151' ' ' HIS . 50.9 m-70 -160.58 159.54 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -157.52 111.94 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -53.6 -48.23 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.69 -171.13 18.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -161.42 120.41 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -131.28 166.3 22.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 65.6 m -132.81 135.01 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -122.16 147.56 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.2 ptm -83.78 162.6 20.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 30.5 p -113.59 147.85 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -49.53 174.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -112.41 173.23 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 166' ' ' GLU . 13.6 ttmm -122.02 150.65 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 10.4 mp0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -80.7 137.08 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.67 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.25 169.56 20.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -125.97 41.28 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -55.61 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 12.8 m95 -97.53 145.26 26.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 10.5 mm100 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD11 ' A' ' 119' ' ' ILE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.684 HD22 HD13 ' A' ' 105' ' ' LEU . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.703 HD11 ' NH1' ' A' ' 99' ' ' ARG . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.689 ' CD1' HD11 ' A' ' 143' ' ' LEU . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.689 HD11 ' CD1' ' A' ' 139' ' ' TRP . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.61 -50.77 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -51.32 161.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 160.15 34.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.87 36.16 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -104.86 -50.72 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -141.3 131.51 24.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -114.09 157.26 22.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -169.72 148.41 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.95 85.58 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.29 153.2 21.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -158.83 164.41 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -151.24 115.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 159' ' ' ALA . 49.4 m -75.11 -58.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . 68.78 35.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -138.35 129.47 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtm -144.88 176.84 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.9 t -147.28 160.75 42.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -90.65 164.24 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -171.35 152.3 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -148.42 168.02 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -92.68 86.46 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -94.44 137.41 33.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.04 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -111.84 102.8 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.96 149.62 29.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -97.12 134.22 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.621 ' HB3' HD12 ' A' ' 105' ' ' LEU . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 102' ' ' MET . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 139' ' ' TRP . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 -67.27 -36.97 82.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.62 54.99 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -96.64 146.86 24.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -41.65 123.54 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 152' ' ' HIS . 15.2 tptm -136.29 156.25 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 38.4 m-70 -86.22 39.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 150' ' ' LYS . 0.1 OUTLIER -79.53 90.67 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -116.79 -43.42 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 155' ' ' GLY . 2.8 ptp180 -47.88 -31.76 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 154' ' ' ARG . . . 35.4 54.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 155' ' ' GLY . 19.6 p-10 -35.83 134.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.84 138.64 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.541 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 m -89.6 -58.19 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.23 130.41 9.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' MET . 20.5 ttmt -78.22 139.19 38.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 7.8 ptt? -36.08 135.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.1 t -151.18 132.95 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.88 141.79 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -101.65 160.57 14.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -53.37 160.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.04 119.37 38.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.99 100.55 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 165.85 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -83.73 -51.78 6.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.449 ' O ' ' NH2' ' A' ' 130' ' ' ARG . 95.0 m -41.76 -46.16 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -105.65 113.62 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.519 HG22 ' OE2' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD11 HH12 ' A' ' 99' ' ' ARG . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.587 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 86' ' ' THR . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 -61.47 -47.5 85.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -73.52 -72.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -97.71 151.44 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.13 78.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -143.24 108.52 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.462 ' C ' ' CG ' ' A' ' 152' ' ' HIS . 9.5 t-160 -129.02 -52.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 151' ' ' HIS . 4.1 p80 42.69 43.18 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -109.09 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -110.03 -47.03 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.63 101.66 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -174.79 161.93 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 100.4 76.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 110.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -164.3 110.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -135.83 131.38 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 23.9 mtp -146.62 136.76 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 87.0 p -170.1 168.05 8.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -170.97 153.73 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -108.42 164.99 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 133.29 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -100.62 167.66 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.32 159.65 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.29 63.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 42.3 37.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.6 m -64.8 -59.3 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 -77.23 133.04 38.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.63 HD11 ' NH2' ' A' ' 99' ' ' ARG . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.63 ' NH2' HD11 ' A' ' 95' ' ' LEU . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 109' ' ' SER . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.535 ' N ' HG23 ' A' ' 108' ' ' THR . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.498 HD13 ' HE ' ' A' ' 99' ' ' ARG . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.846 ' HA ' HD12 ' A' ' 142' ' ' LEU . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 139' ' ' TRP . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -53.51 -44.4 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp 66.51 46.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -54.07 158.02 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 73.47 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.12 -177.78 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -52.19 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -152.28 145.59 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.3 86.25 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 160.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.16 95.19 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -164.63 160.12 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.5 142.16 6.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.5 p -162.58 157.25 21.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -170.08 162.56 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.4 172.76 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -151.75 177.17 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.3 t -155.65 176.73 12.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -171.25 158.06 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -141.57 168.84 18.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -93.06 171.16 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.89 -44.33 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 2.7 ptp180 -44.63 -25.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.49 93.01 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.13 89.92 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.417 HG22 ' HD1' ' A' ' 87' ' ' TRP . 34.9 m -119.9 -45.44 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 11.9 m95 -115.11 122.93 47.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 ' NH1' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.758 ' HE ' HD13 ' A' ' 119' ' ' ILE . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 105' ' ' LEU . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 102' ' ' MET . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 33.0 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD13 ' HE ' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.494 ' HE3' HD21 ' A' ' 142' ' ' LEU . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 142' ' ' LEU . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.07 -43.79 51.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.0 tttm 54.85 43.17 30.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -41.14 142.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.02 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 158.84 41.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.11 105.01 11.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -76.27 159.36 30.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.88 159.45 31.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -146.6 157.71 43.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -117.3 -146.57 8.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -140.38 169.84 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.97 -163.7 31.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.0 p -112.86 168.36 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.3 173.25 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -88.84 116.65 27.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.41 135.88 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 50.9 m -159.63 168.54 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -174.36 140.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.5 OUTLIER -172.22 135.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -99.31 142.94 30.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' ARG . 9.3 tppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LYS . 74.5 mtm180 -116.54 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.26 127.33 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.65 83.76 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.4 p -132.82 161.43 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -64.68 135.39 55.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 91' ' ' GLU . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 15.1 mm100 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.677 ' HE1' ' O ' ' A' ' 115' ' ' LEU . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' HB2' HD13 ' A' ' 115' ' ' LEU . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.656 ' HE2' HD11 ' A' ' 119' ' ' ILE . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.677 ' O ' ' HE1' ' A' ' 102' ' ' MET . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.591 ' HA ' HD12 ' A' ' 119' ' ' ILE . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.656 HD11 ' HE2' ' A' ' 106' ' ' PHE . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.527 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.4 -45.9 65.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -92.71 154.37 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -39.16 152.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -124.68 138.37 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -109.97 -27.67 9.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -121.84 86.28 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -83.99 146.47 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.1 139.69 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 154' ' ' ARG . 4.8 mmm180 -104.0 -46.3 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 61.63 115.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -156.08 164.19 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 150.91 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 95.4 p -144.39 129.45 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -167.35 109.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -134.77 141.83 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.4 ttp -172.44 161.76 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.4 t -173.54 155.36 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -170.77 148.11 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.06 172.81 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -154.27 131.69 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.89 156.61 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -103.73 152.05 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.42 91.3 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.04 129.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.5 m -120.44 98.45 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 -90.92 139.81 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.613 HG22 ' CD ' ' A' ' 91' ' ' GLU . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.613 ' CD ' HG22 ' A' ' 88' ' ' VAL . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.606 ' CD2' HD23 ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.606 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.436 ' HE3' HD21 ' A' ' 142' ' ' LEU . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.627 ' HA ' HD12 ' A' ' 142' ' ' LEU . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -64.13 -50.86 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' LYS . 17.1 ptmt -64.37 167.24 7.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -34.68 132.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.75 -179.61 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -119.7 99.07 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -169.04 159.97 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -151.84 124.6 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -163.67 119.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -172.32 108.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.58 134.59 6.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -169.6 -178.11 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -176.29 169.73 42.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.1 t -174.13 162.03 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.59 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -173.38 123.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmt -115.11 -176.89 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.1 m -157.05 172.18 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -148.11 175.15 11.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.22 175.89 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -107.56 174.06 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -136.63 108.91 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -163.62 121.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.56 130.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 p -105.47 -29.87 9.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.424 ' CE2' ' CG ' ' A' ' 138' ' ' LYS . 7.6 m95 -104.52 146.32 29.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 ' OE1' ' A' ' 91' ' ' GLU . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.633 ' OE1' HG22 ' A' ' 88' ' ' VAL . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' CD ' ' A' ' 100' ' ' ARG . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' CD ' HG22 ' A' ' 96' ' ' ILE . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.474 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.568 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -56.37 -44.95 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 148' ' ' LYS . 2.1 tppp? -83.82 131.79 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 147' ' ' LYS . 19.1 mmmt -37.22 129.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -102.99 42.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -106.55 134.88 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.41 150.64 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -119.56 164.41 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.97 116.43 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -128.3 129.79 6.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -68.08 -46.04 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 91.54 158.71 34.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.5 t -161.95 159.25 26.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -148.64 149.82 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -143.36 176.59 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttt -103.62 116.63 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 94.0 p -41.63 133.94 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -156.33 148.7 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 164' ' ' TYR . 0.1 OUTLIER -141.83 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -54.98 175.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -115.79 100.72 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -150.86 172.55 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.77 155.13 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.3 p -119.23 153.07 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 -83.67 137.89 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 91' ' ' GLU . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.728 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.468 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 99' ' ' ARG . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.45 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.776 ' HA ' HD12 ' A' ' 142' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.556 ' HA ' HD12 ' A' ' 143' ' ' LEU . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 139' ' ' TRP . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 140' ' ' ARG . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 -48.28 -46.4 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -73.22 108.46 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.42 110.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.08 126.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.2 tttt 41.26 41.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -51.22 -60.76 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 152' ' ' HIS . 43.1 p-80 -63.38 102.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -118.56 -44.94 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -96.72 -58.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 136.13 -54.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -162.9 157.17 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 158' ' ' SER . . . -143.59 -78.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 157' ' ' GLY . 21.7 m 35.94 46.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.85 142.13 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 -175.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.4 ttt -163.19 152.1 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.4 p -157.88 158.87 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -158.44 146.57 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -166.48 138.4 3.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -120.79 162.72 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.417 ' C ' ' HD2' ' A' ' 165' ' ' LYS . 12.5 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG22 ' OE2' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE1' HG13 ' A' ' 119' ' ' ILE . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 52.2 t60 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 16.7 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.539 HD13 ' HE ' ' A' ' 99' ' ' ARG . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.537 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.522 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.781 ' NE1' HD11 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 139' ' ' TRP . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.781 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 91' ' ' GLU . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 88' ' ' VAL . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.556 ' HB3' HD12 ' A' ' 105' ' ' LEU . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 102' ' ' MET . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.62 ' CD1' HD12 ' A' ' 115' ' ' LEU . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.493 ' HB2' ' HE3' ' A' ' 102' ' ' MET . 33.5 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.738 ' HA ' HD12 ' A' ' 142' ' ' LEU . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 139' ' ' TRP . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 91' ' ' GLU . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.549 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 108' ' ' THR . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.535 ' HA ' HD12 ' A' ' 119' ' ' ILE . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 116' ' ' TRP . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.546 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.826 ' HA ' HD12 ' A' ' 142' ' ' LEU . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.807 0.337 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.8 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.406 ' HD2' HD23 ' A' ' 115' ' ' LEU . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 106' ' ' PHE . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.968 ' HA ' HD12 ' A' ' 142' ' ' LEU . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.968 HD12 ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.509 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.4 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.509 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HA ' HG22 ' A' ' 108' ' ' THR . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 108' ' ' THR . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.575 ' HA ' HD12 ' A' ' 142' ' ' LEU . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.59 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.5 m95 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.792 0.329 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.59 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.566 ' HE1' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.628 ' CD1' HD12 ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.628 HD12 ' CD1' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.566 HG13 ' HE1' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.584 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 142' ' ' LEU . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 139' ' ' TRP . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 38.9 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.327 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 ' CD ' ' A' ' 91' ' ' GLU . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.612 ' CD ' HG22 ' A' ' 88' ' ' VAL . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.489 ' HE2' HD11 ' A' ' 119' ' ' ILE . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.518 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.489 HD11 ' HE2' ' A' ' 102' ' ' MET . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . 0.434 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.431 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 132' ' ' PRO . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.505 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.588 HG23 ' H ' ' A' ' 91' ' ' GLU . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.485 HG22 ' HE ' ' A' ' 100' ' ' ARG . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 96' ' ' ILE . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' HD22 ' A' ' 115' ' ' LEU . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.693 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.538 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.505 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.79 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 139' ' ' TRP . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.493 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.787 0.327 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.626 ' HE3' HD22 ' A' ' 115' ' ' LEU . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 102' ' ' MET . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 11.5 p-80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.626 HD22 ' HE3' ' A' ' 102' ' ' MET . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.507 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.479 ' NE1' HD11 ' A' ' 143' ' ' LEU . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 ' NE1' ' A' ' 139' ' ' TRP . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.81 ' HE1' ' HB2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.524 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 11.1 t60 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.611 ' CZ2' HG23 ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.81 ' HB2' ' HE1' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.611 HG23 ' CZ2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.748 ' HA ' HD12 ' A' ' 142' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 139' ' ' TRP . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.637 HD11 ' NE1' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.668 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.49 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.515 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HE ' ' A' ' 100' ' ' ARG . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.433 ' HE ' HG22 ' A' ' 96' ' ' ILE . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.508 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.891 ' CD1' HD11 ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 139' ' ' TRP . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 12.8 m95 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 11.5 mm-40 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD11 ' A' ' 119' ' ' ILE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.684 HD22 HD13 ' A' ' 105' ' ' LEU . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.703 HD11 ' NH1' ' A' ' 99' ' ' ARG . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.689 ' CD1' HD11 ' A' ' 143' ' ' LEU . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.689 HD11 ' CD1' ' A' ' 139' ' ' TRP . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.75 0.309 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.621 ' HB3' HD12 ' A' ' 105' ' ' LEU . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 102' ' ' MET . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 139' ' ' TRP . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.519 HG22 ' OE2' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD11 HH12 ' A' ' 99' ' ' ARG . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.587 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.63 HD11 ' NH2' ' A' ' 99' ' ' ARG . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.63 ' NH2' HD11 ' A' ' 95' ' ' LEU . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 109' ' ' SER . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.535 ' N ' HG23 ' A' ' 108' ' ' THR . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' NE2' ' A' ' 118' ' ' GLN . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.437 ' NE2' ' CD2' ' A' ' 114' ' ' HIS . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.498 HD13 ' HE ' ' A' ' 99' ' ' ARG . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.846 ' HA ' HD12 ' A' ' 142' ' ' LEU . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 139' ' ' TRP . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 11.9 m95 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 ' NH1' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.758 ' HE ' HD13 ' A' ' 119' ' ' ILE . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 105' ' ' LEU . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 102' ' ' MET . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.409 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 36.9 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD13 ' HE ' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.494 ' HE3' HD21 ' A' ' 142' ' ' LEU . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 142' ' ' LEU . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 91' ' ' GLU . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.9 mm-40 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.677 ' HE1' ' O ' ' A' ' 115' ' ' LEU . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' HB2' HD13 ' A' ' 115' ' ' LEU . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.656 ' HE2' HD11 ' A' ' 119' ' ' ILE . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.677 ' O ' ' HE1' ' A' ' 102' ' ' MET . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.591 ' HA ' HD12 ' A' ' 119' ' ' ILE . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.656 HD11 ' HE2' ' A' ' 106' ' ' PHE . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.527 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.753 0.311 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.613 HG22 ' CD ' ' A' ' 91' ' ' GLU . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.613 ' CD ' HG22 ' A' ' 88' ' ' VAL . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.606 ' CD2' HD23 ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.606 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.436 ' HE3' HD21 ' A' ' 142' ' ' LEU . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.627 ' HA ' HD12 ' A' ' 142' ' ' LEU . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.424 ' CE2' ' CG ' ' A' ' 138' ' ' LYS . 7.6 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 ' OE1' ' A' ' 91' ' ' GLU . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.633 ' OE1' HG22 ' A' ' 88' ' ' VAL . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' CD ' ' A' ' 100' ' ' ARG . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.474 ' CD ' HG22 ' A' ' 96' ' ' ILE . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.474 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.568 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 91' ' ' GLU . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.728 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.468 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 99' ' ' ARG . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.45 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.776 ' HA ' HD12 ' A' ' 142' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.556 ' HA ' HD12 ' A' ' 143' ' ' LEU . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 139' ' ' TRP . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 140' ' ' ARG . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.88 0.372 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -88.17 103.0 15.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -82.6 171.76 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.94 -72.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -50.5 128.53 20.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 p -149.03 179.4 7.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -60.53 119.16 7.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG22 ' OE2' ' A' ' 91' ' ' GLU . 35.4 m -110.85 156.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.149 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tm0? -41.68 -51.89 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -45.67 -61.28 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 1.1 mp0 -60.13 -64.74 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' GLU . 24.7 m -36.9 -65.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -47.21 -45.97 23.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 97' ' ' MET . 44.8 m -59.61 -59.76 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 25.2 tp -37.19 -49.86 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.1 mt -64.17 -39.62 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 94' ' ' SER . 27.7 ttm -56.52 -55.01 39.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 25.4 m-85 -57.36 -38.62 74.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.624 ' NH2' ' CZ3' ' A' ' 116' ' ' TRP . 11.0 tpp85 -71.16 -69.84 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -38.43 -31.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -78.01 -43.52 13.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.409 ' HE1' HG13 ' A' ' 119' ' ' ILE . 5.0 mtp -99.08 22.94 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 105' ' ' LEU . 7.1 t0 -65.74 -53.53 39.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.24 -26.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ASP . 82.1 mt -77.17 -58.42 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.374 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.54 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 30.7 m-85 -37.15 -37.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.72 -58.9 3.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 95.3 m -56.38 -60.94 2.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -77.09 115.88 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -56.43 -58.86 6.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.4 t -83.15 112.98 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.16 36.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.19 -53.29 57.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLU . 52.2 t60 -60.3 -61.45 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HA ' ' CD ' ' A' ' 118' ' ' GLN . 5.8 mt -39.56 -51.33 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.624 ' CZ3' ' NH2' ' A' ' 99' ' ' ARG . 22.2 m95 -59.74 -38.59 82.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 114' ' ' HIS . 16.9 mt-10 -68.39 -55.83 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 115' ' ' LEU . 16.7 pt20 -54.07 -45.01 71.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.539 HD13 ' HE ' ' A' ' 99' ' ' ARG . 58.8 mt -58.44 -61.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.1 p -45.72 -46.61 15.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 t -65.88 -41.18 91.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -63.35 -63.26 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.537 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 4.6 ppp? -54.15 -31.1 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -73.59 -46.48 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.825 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -45.8 -46.46 15.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -41.78 -45.5 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.7 35.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 20.2 m-85 -134.78 104.42 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -74.81 100.75 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -142.36 150.27 40.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -87.44 157.47 52.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -41.46 4.28 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -50.51 -44.18 56.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 78.3 mmm -63.72 -45.14 91.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.54 -36.52 71.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.522 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 16.8 m -70.9 -47.67 57.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -61.58 -52.72 63.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -56.06 -44.92 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.781 ' NE1' HD11 ' A' ' 143' ' ' LEU . 52.0 t-105 -57.66 -47.51 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -52.44 -50.12 63.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.65 -44.68 96.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 139' ' ' TRP . 59.3 mt -52.1 -40.06 60.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.781 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.9 mt -69.24 -53.22 20.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -43.28 -45.94 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.08 -41.08 74.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.548 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 13.6 m-85 -59.79 -40.01 86.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' PHE . 15.1 tptm -37.3 138.59 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -90.68 9.18 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.07 55.53 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -125.43 159.71 31.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 152' ' ' HIS . 14.8 p-80 -47.76 -51.13 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 151' ' ' HIS . 41.4 t-80 -106.77 100.06 9.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -114.47 42.47 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -119.0 97.28 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 142.38 60.12 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.468 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -133.17 146.53 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.917 0.389 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -126.05 126.06 5.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.1 t -99.5 159.09 15.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.61 140.09 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 164.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 7.7 mtt -141.27 170.51 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 34.2 m -139.73 147.17 40.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -121.56 160.9 23.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -166.64 173.61 9.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -117.03 137.35 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.22 121.53 2.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -142.19 -176.64 4.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.93 -39.29 12.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.38 136.56 33.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.5 p -128.62 150.28 50.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -78.22 129.29 34.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.591 HG22 ' OE1' ' A' ' 91' ' ' GLU . 3.1 m -93.8 164.47 2.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 92' ' ' THR . 2.3 mp0 -57.67 -63.16 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.531 ' OD1' ' CE1' ' A' ' 128' ' ' PHE . 1.6 p30 -37.25 -44.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.591 ' OE1' HG22 ' A' ' 88' ' ' VAL . 80.9 mt-10 -68.39 -41.89 79.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 89' ' ' GLN . 12.3 m -59.93 -57.62 12.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -55.24 -52.76 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 81.6 p -55.19 -57.79 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -44.06 -52.66 6.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.51 -58.52 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.3 ttp -41.37 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 123' ' ' MET . 13.3 m-85 -40.09 -52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 16.6 tpt180 -53.26 -48.4 68.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -56.17 -25.82 48.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.0 -48.47 11.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.556 ' HB3' HD12 ' A' ' 105' ' ' LEU . 25.6 mtp -99.86 18.69 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -58.21 -42.66 86.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.48 66.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 102' ' ' MET . 64.6 mt -61.29 -49.33 77.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.62 ' CD1' HD12 ' A' ' 115' ' ' LEU . 90.8 m-85 -55.56 -16.28 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -95.04 -56.3 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.9 p -69.36 -64.65 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.0 p -57.83 150.11 20.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.835 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -89.59 -42.17 11.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -75.8 123.64 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.51 -32.17 9.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -45.31 -50.66 11.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -55.38 -52.01 64.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.62 HD12 ' CD1' ' A' ' 106' ' ' PHE . 5.4 mt -52.11 -59.22 4.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 28.1 m95 -47.8 -38.2 15.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.94 -39.22 90.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.493 ' HB2' ' HE3' ' A' ' 102' ' ' MET . 33.5 mt-30 -63.72 -53.27 53.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 52.0 mt -54.85 -54.71 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.4 p -45.3 -56.26 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.1 m -60.83 -36.47 79.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -65.1 -70.44 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.563 ' HA ' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -46.19 -26.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 125' ' ' GLU . 7.2 tmm_? -69.74 -57.44 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 124' ' ' ARG . 13.7 mt-10 -34.78 -35.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 124' ' ' ARG . 13.9 mmmt -52.45 -51.87 57.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.1 33.66 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.531 ' CE1' ' OD1' ' A' ' 90' ' ' ASP . 11.5 m-85 -131.47 107.43 8.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' O ' ' CZ ' ' A' ' 130' ' ' ARG . 3.7 m-20 -74.84 93.25 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.438 ' CZ ' ' O ' ' A' ' 129' ' ' ASP . 11.5 mmp_? -132.96 165.6 24.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -105.43 159.32 29.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.652 0.739 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -23.03 31.44 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.25 -46.3 64.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 19.0 ptp -71.36 -28.26 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 75.1 m -72.19 -40.8 67.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.4 m -67.74 -51.46 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -53.92 -46.26 71.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -56.37 -47.43 78.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.738 ' HA ' HD12 ' A' ' 142' ' ' LEU . 69.6 t-105 -52.23 -46.41 65.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 15.0 mtp85 -54.67 -59.51 4.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -52.81 -46.78 67.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 139' ' ' TRP . 37.7 mt -47.2 -49.63 22.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.27 -43.42 92.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -59.54 -54.31 48.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -61.19 -39.51 90.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -55.9 -48.94 74.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.571 ' HE2' ' CD2' ' A' ' 151' ' ' HIS . 6.7 tptm -65.21 100.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -122.41 8.56 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.575 ' HB3' ' CD2' ' A' ' 151' ' ' HIS . . . -77.63 57.29 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 149' ' ' ALA . 22.9 mtpt 35.78 46.65 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.575 ' CD2' ' HB3' ' A' ' 149' ' ' ALA . 22.2 m-70 -85.91 -50.93 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -83.65 87.51 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -106.2 168.55 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 154' ' ' ARG . 16.6 ttp-105 51.53 44.62 28.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -69.34 -52.2 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.525 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -99.23 134.13 42.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -109.18 164.61 12.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -85.42 98.24 10.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.95 -47.97 12.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -111.87 143.51 42.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.5 ptm -124.26 -37.74 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.587 ' O ' ' CD2' ' A' ' 163' ' ' TYR . 5.3 t -164.84 146.12 7.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 162' ' ' SER . 11.4 m-85 -164.97 120.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 166' ' ' GLU . 1.7 t80 -105.51 147.42 28.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -99.58 40.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 164' ' ' TYR . 3.5 tp10 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -116.51 86.14 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -90.86 105.5 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -164.87 171.45 14.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.4 23.91 5.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.9 p -51.51 164.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.96 134.01 35.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 91' ' ' GLU . 31.1 m -75.75 179.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -72.06 -42.85 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.1 -61.97 2.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.549 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -51.63 -47.73 63.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.5 m -58.04 -63.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.61 -63.03 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 49.5 m -46.42 -58.65 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.5 tp -42.7 -50.23 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.53 -48.3 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.4 mtt -53.47 -63.7 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 24.7 m-85 -40.15 -52.5 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.602 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 9.8 tpt85 -54.05 -63.07 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.845 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -39.73 -34.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.99 -52.63 27.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.4 mtm -99.38 25.83 6.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -63.19 -45.74 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.28 8.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.42 -48.95 79.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.602 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 12.4 m-85 -46.62 -46.6 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -68.97 -35.28 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 ' O ' HG22 ' A' ' 108' ' ' THR . 12.8 m -96.94 47.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 p -172.76 137.22 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -77.08 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.3 p -97.28 105.38 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -86.01 46.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -70.69 -48.72 53.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -63.71 -46.53 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.5 -68.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.535 ' HA ' HD12 ' A' ' 119' ' ' ILE . 19.8 m95 -41.52 -46.72 3.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -53.65 -62.21 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -49.28 -47.37 46.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 116' ' ' TRP . 42.2 mt -52.93 -63.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -47.79 -28.26 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -79.7 -41.69 26.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 20.0 mtpp -69.98 -28.01 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.546 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.0 ppp? -89.02 -24.72 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -27.04 41.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' LYS . 2.1 pt-20 -62.42 -37.98 87.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 7.4 mmpt? -46.75 -45.13 19.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.49 34.52 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.525 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 22.3 m-85 -125.76 146.8 49.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -110.77 102.78 11.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -142.26 166.02 25.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -106.42 159.25 30.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.718 0.771 . . . . 0.0 110.822 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 2.23 . . . . 0.0 112.361 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -46.79 -39.02 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 84.9 mmm -68.26 -43.74 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 74.8 m -54.71 -48.07 72.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 100.0 m -62.09 -46.81 87.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.169 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.43 -47.26 86.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -61.59 -53.6 54.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.826 ' HA ' HD12 ' A' ' 142' ' ' LEU . 75.5 t-105 -51.17 -47.61 62.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 41.3 mmt-85 -52.88 -54.71 30.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.96 -42.9 76.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.0 mt -52.96 -37.93 61.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.26 -50.3 54.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -50.29 -46.02 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.84 -48.43 71.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 18.0 m-85 -54.98 -45.69 75.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -72.69 125.84 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -62.5 150.59 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -140.51 153.94 46.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 121.2 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 28.2 m80 61.31 42.3 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -66.49 144.64 56.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -119.65 163.81 16.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 29.9 ttt-85 -155.06 159.46 40.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.13 150.85 5.53 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.551 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -118.86 -50.83 2.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 90.91 130.89 4.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 23.6 p -173.64 128.51 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -156.38 112.18 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 35.8 tttm -113.08 85.15 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -177.04 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.2 t 64.54 44.92 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -104.23 148.27 26.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -131.95 161.38 33.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -70.49 139.4 51.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.59 ' HE2' HD23 ' A' ' 142' ' ' LEU . 37.4 mmtm -72.16 115.19 11.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -94.55 88.05 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.35 121.36 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -88.38 36.78 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.39 -34.73 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -106.49 115.28 29.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.1 m -83.86 138.42 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.8 mp0 -35.07 -52.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.94 -53.53 7.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.86 -55.08 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -49.76 -71.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -41.36 -53.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.582 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 56.2 m -52.89 -65.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 94' ' ' SER . 16.4 tp -36.65 -51.94 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.2 mt -59.22 -45.45 92.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.4 mtp -54.04 -51.82 62.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 4.2 m-85 -64.41 -41.43 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 28.4 tpt85 -63.55 -69.96 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.7 ptt85 -42.01 -38.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.26 -33.72 73.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' ARG . 52.9 mtp -91.04 2.06 56.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 104' ' ' GLY . 15.0 t0 -49.46 -50.5 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.47 -40.39 0.43 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.525 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 106' ' ' PHE . 70.7 mt -71.74 -62.8 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 83.4 m-85 -37.81 -46.97 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -39.74 -55.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 56.4 p -116.41 93.96 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 p -173.34 111.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -41.79 -55.2 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -127.9 126.62 41.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -86.67 32.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.65 -55.03 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.406 ' HD2' HD23 ' A' ' 115' ' ' LEU . 1.7 p-80 -62.54 -38.21 89.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.492 HD12 ' CD1' ' A' ' 106' ' ' PHE . 9.9 mt -55.46 -70.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -44.05 -50.25 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.13 -48.56 67.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -56.87 -41.19 77.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 120' ' ' SER . 75.7 mt -66.43 -63.5 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 119' ' ' ILE . 89.0 p -34.7 -51.5 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.0 p -60.74 -49.04 79.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -55.11 -60.13 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.521 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 6.9 ptm -58.52 -29.27 66.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -66.59 -49.92 64.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -50.63 -41.98 55.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -45.27 -30.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 120.51 41.79 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -141.27 105.07 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.859 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.66 110.46 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -143.25 159.38 42.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -107.96 161.16 24.26 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.642 0.734 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -39.88 6.03 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -61.37 -26.03 67.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 30.7 mmm -71.21 -67.91 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 28.5 p -42.35 -43.38 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.9 m -58.43 -54.6 45.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -64.63 -58.15 7.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -44.08 -61.94 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.968 ' HA ' HD12 ' A' ' 142' ' ' LEU . 72.2 t-105 -44.82 -52.69 8.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -50.73 -49.41 57.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.87 -43.71 98.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.968 HD12 ' HA ' ' A' ' 139' ' ' TRP . 35.6 mt -49.51 -50.24 42.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 39.1 mt -59.79 -47.64 84.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -47.27 -53.49 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.45 -47.22 86.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.41 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 27.7 m-85 -52.05 -46.1 64.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -96.27 175.21 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.8 126.04 35.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -169.36 162.83 10.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.27 154.21 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -104.7 44.35 1.03 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -94.87 42.83 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -71.94 110.98 6.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 24.1 tpt85 -170.47 139.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.35 134.28 3.18 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 54.1 p30 -171.64 165.69 6.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 165.59 172.63 33.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.4 p -151.25 171.81 16.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -120.43 168.75 10.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -100.16 171.5 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.9 ptm -69.34 172.57 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 1.7 t -145.92 176.99 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -48.35 163.39 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -122.51 165.85 15.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -47.32 162.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 1.9 pptp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.899 0.381 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -47.71 167.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.46 -10.8 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -122.2 145.02 48.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 86' ' ' THR . 18.4 pt-20 -112.91 30.3 7.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 85' ' ' GLU . 93.5 m -36.02 -42.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.509 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.4 m95 -106.96 112.58 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.3 m -63.65 154.1 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -50.58 -38.82 47.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.13 -60.99 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.0 mt-10 -54.37 -40.8 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.1 m -65.72 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -47.67 -57.29 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.453 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -53.0 -60.42 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.509 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 15.6 tp -35.88 -44.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.24 -54.16 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.6 tpp -44.68 -51.96 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 17.3 m-85 -57.55 -51.41 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 106' ' ' PHE . 17.6 tpt85 -60.66 -67.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.7 ptt180 -39.01 -33.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.51 -47.02 52.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 33.7 mtp -93.08 7.36 44.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -47.9 -40.34 21.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.24 -33.73 23.88 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.468 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' HA ' HG22 ' A' ' 108' ' ' THR . 85.2 mt -74.23 -55.62 5.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 10.7 m-85 -39.3 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 105' ' ' LEU . 17.4 m120 -86.66 -54.83 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 108' ' ' THR . 14.2 t -80.78 48.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.7 t -172.32 126.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -69.9 -53.37 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.2 m -97.35 101.72 13.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -88.33 41.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -73.4 -55.04 6.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -18.45 42.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 115' ' ' LEU . 6.2 mt -78.92 -51.84 9.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -64.4 -30.02 71.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.47 -55.56 7.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -53.76 -48.49 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 122' ' ' LYS . 77.3 mt -59.81 -62.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.2 t -39.25 -42.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -69.38 -42.55 75.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 119' ' ' ILE . 41.9 mttt -58.65 -63.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.476 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.3 ppp? -51.34 -36.74 44.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ttp85 -57.58 -49.32 76.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -49.52 -44.76 46.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -39.87 -46.45 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.06 34.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.519 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -132.49 124.31 28.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -96.03 90.64 5.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -135.56 154.96 51.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.802 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 m -85.67 158.37 56.9 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -35.54 12.37 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.305 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.35 -31.82 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.3 mmm -71.84 -46.79 56.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 66.9 m -52.31 -49.3 64.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.2 m -60.96 -49.66 76.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.9 -52.85 62.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -52.34 -57.05 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.575 ' HA ' HD12 ' A' ' 142' ' ' LEU . 32.0 t-105 -42.97 -49.71 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -55.57 -40.72 72.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -71.28 -42.96 68.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.5 mt -52.57 -41.66 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.61 -49.39 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -43.62 -43.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -78.16 -45.6 22.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 6.7 m-85 -46.79 -43.15 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 52.9 tttt 59.28 42.18 18.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -114.73 5.28 15.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.63 ' HB3' ' CE1' ' A' ' 151' ' ' HIS . . . -104.38 173.67 6.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -38.99 -64.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.63 ' CE1' ' HB3' ' A' ' 149' ' ' ALA . 42.0 p-80 -38.17 114.96 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 153' ' ' ASP . 66.4 m80 -78.14 -66.33 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 152' ' ' HIS . 15.7 m-20 -173.31 176.09 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 154' ' ' ARG . 0.0 OUTLIER -160.41 170.45 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.92 161.0 34.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.94 151.24 38.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -42.8 134.45 4.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.0 t -150.21 173.65 13.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -147.54 151.9 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.12 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -117.12 174.47 6.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmm -99.58 168.31 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 54.4 p -144.94 167.29 22.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -126.93 156.96 40.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -124.65 177.37 6.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -94.44 143.64 26.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.911 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 165' ' ' LYS . 17.8 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 tptt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -59.59 99.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.7 mmm-85 -146.55 164.05 33.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.34 94.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -71.01 135.86 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.4 p -64.77 -44.63 89.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.59 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 9.5 m95 -78.43 146.94 34.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' GLN . 17.1 m -96.58 151.53 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 88' ' ' VAL . 3.9 tt0 -36.87 -64.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -38.81 -58.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' OE1' ' NE ' ' A' ' 130' ' ' ARG . 55.8 mt-10 -52.28 -51.13 60.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.12 -67.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -43.88 -59.76 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.545 ' OG ' ' CE2' ' A' ' 98' ' ' PHE . 2.5 t -56.51 -55.44 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.59 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -41.6 -55.14 3.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.1 mt -56.83 -38.45 58.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.9 ttm -61.56 -49.44 76.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 28.5 m-85 -62.87 -40.4 97.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -67.93 -68.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -38.46 -45.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 100' ' ' ARG . . . -63.5 -39.83 98.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.566 ' HE1' HG13 ' A' ' 119' ' ' ILE . 48.5 mtp -86.32 4.58 38.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -50.56 -44.72 56.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -39.44 -46.24 2.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.43 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' PHE . 52.1 mt -66.95 -67.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.813 0.339 . . . . 0.0 110.936 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.628 ' CD1' HD12 ' A' ' 115' ' ' LEU . 52.7 m-85 -35.45 -44.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -63.35 -55.46 24.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 57.6 p -109.85 80.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.1 p -159.09 -179.74 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -117.27 -40.89 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.0 t -116.57 117.54 30.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -27.29 21.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -47.67 -48.52 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -52.59 -38.19 59.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.628 HD12 ' CD1' ' A' ' 106' ' ' PHE . 7.3 mt -67.57 -69.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.2 m95 -39.76 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.7 mt-10 -72.68 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -57.09 -35.21 69.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.566 HG13 ' HE1' ' A' ' 102' ' ' MET . 83.0 mt -59.67 -57.45 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 27.9 p -58.3 -28.63 65.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.6 p -77.82 -41.19 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -66.49 -30.26 70.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.584 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 3.9 ppp? -90.88 -23.79 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -77.57 -31.8 53.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.88 -20.46 66.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -65.95 -34.19 77.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.35 30.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.514 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -134.91 102.91 5.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -65.52 115.89 6.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' NE ' ' OE1' ' A' ' 91' ' ' GLU . 14.6 mmt180 -145.33 161.04 40.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.7 m -108.63 159.64 30.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.681 0.753 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -50.79 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.385 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -50.11 -31.73 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 51.4 mmm -70.98 -49.68 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 76.1 m -51.9 -42.72 62.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 92.9 m -64.58 -56.24 15.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.61 -56.78 16.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -47.09 -50.73 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.549 ' HA ' HD12 ' A' ' 142' ' ' LEU . 45.6 t-105 -50.14 -44.56 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -61.58 -51.65 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -57.81 -43.48 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 139' ' ' TRP . 58.4 mt -52.71 -54.24 36.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.92 -44.37 66.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.2 mttm -53.53 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.5 pt-20 -58.03 -42.6 85.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.461 ' N ' ' HG3' ' A' ' 145' ' ' GLU . 10.0 m-85 -55.43 -58.6 7.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -123.02 102.86 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -98.11 132.44 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -95.41 43.81 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -116.31 161.36 19.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -99.7 -53.37 3.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -155.19 153.45 30.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.08 92.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -71.63 152.32 42.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -153.91 -141.06 3.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 50.6 t30 68.08 41.89 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.371 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -47.17 -85.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 3.3 t -172.13 173.56 4.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -110.27 166.61 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.068 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -113.86 158.64 20.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 18.9 tpp -136.98 135.53 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.6 m -162.73 176.77 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -140.59 137.45 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -128.07 41.93 3.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 21.3 tptm -59.34 157.37 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 16.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -105.63 146.07 30.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -116.63 154.55 30.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.32 172.94 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 61.43 43.16 10.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -89.33 -46.27 8.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 38.9 m95 -73.0 128.92 36.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.612 HG22 ' CD ' ' A' ' 91' ' ' GLU . 17.4 m -89.69 156.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -42.16 -48.6 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -54.9 -66.09 0.46 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.612 ' CD ' HG22 ' A' ' 88' ' ' VAL . 35.7 mt-10 -44.17 -65.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.1 m -39.54 -56.58 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -56.73 -47.27 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' MET . 4.1 m -60.11 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 44.5 tp -35.41 -51.71 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.57 -44.88 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 94' ' ' SER . 24.1 mtm -58.31 -63.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.509 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 35.5 m-85 -39.45 -51.23 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' CD ' ' CE1' ' A' ' 106' ' ' PHE . 1.4 mmm180 -59.33 -55.4 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -43.18 -37.39 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.59 -52.87 23.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.489 ' HE2' HD11 ' A' ' 119' ' ' ILE . 6.0 mtp -90.27 20.16 4.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.771 0.32 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -60.21 -43.11 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.5 -37.88 13.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.1 mt -68.06 -54.07 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.579 ' CE1' ' CD ' ' A' ' 99' ' ' ARG . 36.4 m-85 -42.87 -39.5 2.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -58.09 -62.14 2.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.9 m -99.65 84.15 2.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.1 p -170.39 109.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -43.59 -37.66 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.461 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 19.1 t -141.84 125.43 16.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -91.84 42.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -77.81 -54.4 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.518 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.0 OUTLIER -56.1 -18.79 10.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 115' ' ' LEU . 5.7 mt -83.76 -55.14 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -59.38 -25.95 64.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -80.32 -56.2 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -58.6 -34.89 71.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.489 HD11 ' HE2' ' A' ' 102' ' ' MET . 87.9 mt -69.85 -52.57 30.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -50.79 -37.73 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.6 t -71.32 -38.21 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -68.13 -54.81 15.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -60.33 -37.79 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.489 ' N ' ' SD ' ' A' ' 123' ' ' MET . 7.8 tmm_? -64.03 -44.74 91.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -43.94 -43.73 6.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 7.3 mmpt? -43.76 -39.3 3.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 133.54 36.36 0.26 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.468 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -138.53 104.97 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -62.44 116.65 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 87' ' ' TRP . 15.9 mmt-85 -141.85 149.12 39.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 1.8 m -99.16 160.36 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.434 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 53.4 Cg_endo -69.84 -35.75 11.85 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -69.24 -20.48 63.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.431 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 3.8 mmt -76.54 -59.85 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 132' ' ' PRO . 1.6 p -53.03 -46.58 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 96.3 m -59.34 -58.33 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -55.03 -57.57 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -46.44 -55.67 7.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' HA ' HD12 ' A' ' 142' ' ' LEU . 64.0 t-105 -43.42 -53.1 5.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -51.59 -54.42 27.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -55.31 -44.63 75.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.3 mt -56.39 -49.65 73.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.6 mt -55.58 -35.23 65.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -63.88 -57.31 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.86 -25.1 68.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.92 -44.59 72.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm 51.37 45.22 28.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -59.47 142.98 51.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.95 101.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.85 154.21 45.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.505 ' O ' ' CG ' ' A' ' 151' ' ' HIS . 9.2 p80 -62.13 94.49 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -74.5 165.89 24.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -123.56 -52.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.47 149.18 33.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 169.4 58.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -107.39 170.07 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 67.29 89.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.2 t -80.21 -54.56 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -146.31 140.55 26.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -111.39 164.96 12.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.1 ttp -161.63 167.93 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.8 t -158.21 175.96 13.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -161.23 164.54 30.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -103.26 173.28 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.932 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 166' ' ' GLU . 19.5 tptm -143.69 146.62 33.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 165' ' ' LYS . 9.9 tp10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 82' ' ' LYS . 21.9 mmtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.872 0.367 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 81' ' ' LYS . 2.4 mppt? 59.02 41.64 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -81.75 -22.44 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -129.49 87.74 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -62.88 113.92 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.2 p -83.3 -44.59 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.192 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.505 ' CZ2' ' HG2' ' A' ' 130' ' ' ARG . 14.2 m95 -89.54 133.96 34.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.588 HG23 ' H ' ' A' ' 91' ' ' GLU . 18.1 m -81.07 170.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -63.54 -39.51 94.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -60.2 -62.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.7 mt-10 -52.78 -39.41 62.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.9 m -64.85 -62.95 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -52.66 -52.19 56.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 50.6 m -61.28 -47.95 83.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 17.1 tp -42.56 -51.01 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.485 HG22 ' HE ' ' A' ' 100' ' ' ARG . 50.3 mt -61.85 -59.68 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' ILE . 24.3 ttp -36.45 -54.33 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 17.4 m-85 -59.87 -54.26 48.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 14.1 tpt180 -58.08 -67.01 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' HE ' HG22 ' A' ' 96' ' ' ILE . 8.9 ptp180 -39.7 -35.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 100' ' ' ARG . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.402 ' HE3' HD22 ' A' ' 115' ' ' LEU . 29.4 mtp -87.35 7.3 29.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -46.34 -43.86 16.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.12 -65.5 2.25 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.12 -53.82 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.693 ' CD1' HD13 ' A' ' 115' ' ' LEU . 14.4 m-85 -45.06 -47.56 11.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -42.12 -62.0 1.03 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.4 p -100.12 83.54 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 t -165.07 112.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -50.77 -50.99 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.3 m -119.83 142.56 48.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 116' ' ' TRP . 6.7 p30 -107.05 17.06 23.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -55.03 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -61.93 -51.73 66.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.693 HD13 ' CD1' ' A' ' 106' ' ' PHE . 22.2 mt -50.44 -71.69 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.445 ' CD1' ' HB2' ' A' ' 112' ' ' ASN . 40.9 m95 -37.2 -50.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.48 -53.66 51.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -47.86 -43.2 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.0 mt -64.81 -62.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 p -38.52 -32.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.5 p -75.11 -52.59 10.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -57.97 -46.87 84.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.538 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -68.39 -29.54 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -72.46 -35.14 68.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -48.1 -44.55 31.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -45.84 -33.04 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.18 37.62 0.38 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -136.4 105.94 6.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -77.9 87.71 4.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.505 ' HG2' ' CZ2' ' A' ' 87' ' ' TRP . 13.1 tpt180 -113.53 136.72 52.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -74.79 159.7 82.52 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.67 20.09 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -63.5 -26.27 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.7 mmt -74.31 -51.78 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 86.2 m -51.74 -47.59 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 61.8 m -59.89 -57.22 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.8 -62.33 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.8 tptt -40.87 -51.53 3.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.79 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.0 t-105 -51.15 -54.49 24.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -44.9 -56.39 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -53.19 -49.14 67.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.79 HD12 ' HA ' ' A' ' 139' ' ' TRP . 31.9 mt -49.34 -43.44 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.493 HD11 ' NE1' ' A' ' 139' ' ' TRP . 42.3 mt -70.35 -31.56 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -64.49 -46.27 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.54 -30.13 65.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.536 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 11.3 m-85 -71.03 -46.92 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -59.96 -15.93 26.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 149' ' ' ALA . 6.5 ttpt -118.39 150.63 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.478 ' N ' ' HG3' ' A' ' 148' ' ' LYS . . . -34.3 121.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.061 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.2 151.36 47.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 27.7 m170 62.0 53.34 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.46 ' ND1' ' HB1' ' A' ' 149' ' ' ALA . 7.2 m80 -119.59 174.45 6.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -77.73 61.43 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -139.56 106.7 5.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 110.7 -68.53 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.478 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -46.32 172.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -161.25 -100.09 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 21.1 m -154.11 149.49 27.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.19 154.87 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 161' ' ' MET . 0.1 OUTLIER -152.17 174.13 14.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.428 ' N ' ' HD2' ' A' ' 160' ' ' LYS . 66.7 mtm -112.78 166.42 11.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.9 t -138.34 173.63 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -130.98 175.27 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.452 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 56.0 t80 -103.03 168.81 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.452 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 18.2 mttp -68.84 178.0 2.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 165' ' ' LYS . 86.5 mt-10 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 ttmm -119.16 133.95 55.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -18.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 134.48 34.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -123.51 137.18 54.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.7 p -130.37 163.47 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.507 ' CD1' ' HD3' ' A' ' 138' ' ' LYS . 50.7 m95 -61.47 140.86 58.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.33 166.34 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -57.11 -35.72 69.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.84 -71.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -49.09 -41.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.5 m -58.8 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -50.73 -52.04 44.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.452 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 65.3 m -53.47 -63.88 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 94' ' ' SER . 11.5 tp -35.93 -55.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.9 mt -55.53 -51.19 60.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.1 ttm -48.03 -60.44 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 16.1 m-85 -47.4 -42.91 22.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.596 ' NH1' ' CE1' ' A' ' 106' ' ' PHE . 18.5 tpt180 -58.84 -66.6 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.8 mtm105 -41.54 -33.01 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.58 -52.71 28.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.626 ' HE3' HD22 ' A' ' 115' ' ' LEU . 6.6 mtm -101.36 26.05 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.53 -57.46 11.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -48.16 -43.92 26.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 102' ' ' MET . 28.5 mt -51.68 -40.52 60.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.596 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 48.5 m-85 -61.65 -44.21 97.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -61.73 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 p -56.89 -67.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.0 t -52.76 135.92 34.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 111' ' ' SER . 46.7 pttt -78.0 -47.69 17.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' LYS . 89.1 p -97.1 123.06 40.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -97.3 11.65 35.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -54.85 -54.92 36.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 115' ' ' LEU . 11.5 p-80 -62.89 -47.8 81.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.626 HD22 ' HE3' ' A' ' 102' ' ' MET . 19.7 mt -48.99 -71.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.2 m95 -42.07 -46.76 4.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.13 -40.36 67.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -67.46 -44.51 78.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.25 -45.97 96.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 95.1 p -59.08 -36.41 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 p -74.23 -40.55 62.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -68.36 -35.08 77.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -83.08 -32.88 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -76.66 -40.17 49.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -53.6 -20.33 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -65.29 -36.11 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.39 34.72 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -128.09 111.98 14.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -75.82 94.03 3.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -137.08 162.3 33.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -98.33 160.0 29.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.93 9.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.67 -26.31 56.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.441 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 3.6 mmt -75.05 -47.68 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.1 m -54.09 -44.7 71.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 23.9 m -64.18 -54.68 29.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.81 -59.3 5.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.507 ' HD3' ' CD1' ' A' ' 87' ' ' TRP . 12.3 tptt -43.46 -55.19 4.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.479 ' NE1' HD11 ' A' ' 143' ' ' LEU . 73.5 t-105 -52.5 -54.08 37.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -49.26 -56.25 9.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -57.83 -43.4 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 42.7 mt -56.49 -30.53 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 ' NE1' ' A' ' 139' ' ' TRP . 64.1 mt -71.95 -60.36 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 145' ' ' GLU . 0.0 OUTLIER -47.2 -29.14 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 144' ' ' LYS . 12.6 pt-20 -90.19 -43.21 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.568 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.9 m-85 -48.76 -50.37 34.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -57.2 146.09 29.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -47.7 138.83 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -154.93 131.92 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -64.38 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -96.97 162.71 13.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -143.56 108.97 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -44.02 160.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -155.36 151.74 28.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -168.45 158.41 31.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -163.44 175.55 10.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -154.56 -85.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t 54.85 43.78 29.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -83.78 142.12 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 161' ' ' MET . 5.2 tppp? -155.72 151.02 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 160' ' ' LYS . 30.9 ttp -155.88 148.81 24.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 20.3 m -155.24 159.84 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.563 ' CE2' ' O ' ' A' ' 164' ' ' TYR . 91.1 t80 -171.53 158.71 5.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.968 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.563 ' O ' ' CE2' ' A' ' 163' ' ' TYR . 1.4 t80 -130.18 166.32 20.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 165' ' ' LYS . 0.4 OUTLIER -135.69 170.75 15.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 166' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.808 0.337 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -108.05 138.07 44.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 18.6 ttm105 -120.19 85.98 2.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -131.39 143.69 50.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -103.24 36.81 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 36.0 p -57.46 -39.72 76.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -71.47 136.3 47.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 m -99.02 157.69 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -46.18 -33.65 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.19 -65.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.9 mt-10 -57.24 -42.4 81.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.1 m -58.67 -54.87 42.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -57.11 -50.16 73.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 1.3 p -57.47 -59.51 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 tp -40.19 -47.57 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.09 -51.58 69.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' PHE . 9.4 tpp -52.73 -67.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 17.3 m-85 -37.27 -45.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 15.6 mmm180 -58.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -43.74 -29.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.01 -50.87 21.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.81 ' HE1' ' HB2' ' A' ' 118' ' ' GLN . 34.9 mtp -104.93 28.32 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.777 0.322 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 105' ' ' LEU . 14.1 m-20 -74.95 -50.52 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.58 -27.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ASP . 24.6 mt -81.85 -50.56 9.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.524 ' CE1' ' HB2' ' A' ' 112' ' ' ASN . 22.1 m-85 -45.08 -35.64 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.74 -60.19 3.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 108' ' ' THR . 10.1 t -119.8 110.97 17.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.9 t -172.81 122.44 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -28.63 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 80.0 p -164.59 120.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' PHE . 6.9 p30 -87.56 32.66 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.5 mttm -65.23 -49.95 67.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.414 ' C ' ' OE1' ' A' ' 118' ' ' GLN . 11.1 t60 -64.9 -41.24 95.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.7 mt -56.72 -63.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.611 ' CZ2' HG23 ' A' ' 136' ' ' THR . 23.6 m95 -48.11 -46.12 33.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -59.91 -42.03 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.81 ' HB2' ' HE1' ' A' ' 102' ' ' MET . 17.4 mt-30 -59.1 -52.35 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.31 -44.25 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -53.19 -39.59 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.2 t -74.24 -32.5 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -76.86 -28.14 55.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -91.36 -27.84 18.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -82.32 -26.91 32.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.59 -27.55 67.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.25 -43.92 97.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 147.33 37.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 36.1 m-85 -134.16 105.37 6.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.45 91.79 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -137.22 167.02 22.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -105.74 161.29 23.27 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.738 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -16.7 37.57 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.81 -47.33 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 11.0 ptm -72.36 -31.16 65.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.3 m -67.0 -44.28 80.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.611 HG23 ' CZ2' ' A' ' 116' ' ' TRP . 49.2 m -66.27 -43.44 86.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 -45.87 92.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.2 tptt -58.54 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.748 ' HA ' HD12 ' A' ' 142' ' ' LEU . 34.2 t-105 -56.5 -45.02 81.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 26.5 mmm-85 -55.37 -51.32 67.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -59.37 -38.28 80.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 139' ' ' TRP . 50.6 mt -56.58 -51.45 68.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.637 HD11 ' NE1' ' A' ' 139' ' ' TRP . 47.3 mt -57.54 -48.5 79.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 148' ' ' LYS . 47.2 mtmt -57.32 -59.38 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -52.62 -47.26 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -44.25 -58.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -149.64 108.16 3.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.447 ' CG ' ' HA ' ' A' ' 144' ' ' LYS . 2.5 mmmm -151.38 149.25 29.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -101.33 38.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -90.75 84.63 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.47 125.89 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -117.69 173.85 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -169.6 156.98 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -129.31 155.86 44.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -129.62 -146.33 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.36 166.83 21.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 110.927 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -107.92 -143.1 10.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.9 m -164.47 162.21 21.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -121.9 -175.99 3.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -150.38 171.49 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.0 mtm -75.12 162.88 28.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.5 t -165.87 177.08 7.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.25 174.31 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.598 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 32.4 t80 -104.65 168.21 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 0.9 OUTLIER -149.79 154.41 38.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -80.94 140.98 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 61.72 41.66 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.46 159.09 44.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -48.97 149.25 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.3 m -137.38 133.2 34.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.668 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 31.4 m95 -61.62 109.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.49 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.0 m -78.96 156.29 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -41.43 -44.98 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.24 -64.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -43.99 -45.61 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -70.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.4 ttp85 -41.93 -45.97 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.515 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 85.3 p -65.78 -42.12 91.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 27.8 tp -52.49 -43.83 65.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' HE ' ' A' ' 100' ' ' ARG . 69.5 mt -64.44 -58.42 7.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -50.05 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 94' ' ' SER . 13.7 m-85 -63.58 -42.1 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 139' ' ' TRP . 27.6 tpt85 -63.27 -63.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.433 ' HE ' HG22 ' A' ' 96' ' ' ILE . 12.6 ptp180 -50.4 -34.62 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.97 -31.65 72.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 16.6 mtp -96.34 -11.62 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.9 t70 -39.52 -43.1 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.39 -44.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.6 mt -77.2 -59.96 2.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 63.6 m-85 -39.48 -45.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -42.94 -62.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 63.2 m -112.67 89.22 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 t -158.08 143.53 16.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -78.29 -48.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -131.08 106.65 8.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -81.89 44.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -78.21 -55.02 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.508 ' H ' ' CD2' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -63.6 -18.71 64.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.516 ' HB3' ' CE1' ' A' ' 106' ' ' PHE . 6.0 mt -79.3 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -50.97 -38.32 50.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -67.72 -50.45 57.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -53.18 -47.55 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.3 mt -54.64 -59.94 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -42.47 -42.47 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.0 t -71.74 -49.98 34.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -48.53 -55.98 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.408 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 4.9 ppp? -65.06 -37.67 88.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -56.76 -42.51 79.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -44.56 -40.51 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.81 36.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -139.17 105.09 5.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -63.88 116.49 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 65.8 mmt-85 -145.37 153.39 41.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -100.96 161.44 23.74 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.715 0.769 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.13 17.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.377 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.02 -23.1 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 39.4 mtp -70.23 -57.13 5.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.4 p -59.19 -33.43 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.4 m -62.57 -54.41 40.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -67.13 -54.39 21.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -49.1 -52.35 26.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.891 ' CD1' HD11 ' A' ' 143' ' ' LEU . 70.1 t-105 -51.3 -54.68 23.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -44.68 -45.13 9.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 139' ' ' TRP . 16.9 mt -55.94 -44.25 78.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 139' ' ' TRP . 30.9 mt -60.9 -51.62 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -53.24 -40.87 64.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -69.66 -46.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 23.5 m-85 -56.69 -45.97 81.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 146' ' ' PHE . 11.2 mtpp -37.31 -46.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -53.65 169.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.97 45.05 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.69 117.43 19.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.504 ' O ' ' CD2' ' A' ' 152' ' ' HIS . 5.8 p80 -171.63 151.53 2.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 151' ' ' HIS . 26.1 m170 -160.58 159.54 30.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -157.52 111.94 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -53.6 -48.23 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -72.69 -171.13 18.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -161.42 120.41 2.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -131.28 166.3 22.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 65.6 m -132.81 135.01 45.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.87 0.367 . . . . 0.0 110.81 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -50.26 153.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -122.16 147.56 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 25.2 ptm -83.78 162.6 20.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 30.5 p -113.59 147.85 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -49.53 174.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -112.41 173.23 6.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 166' ' ' GLU . 13.6 ttmm -122.02 150.65 41.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 10.4 mp0 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -80.7 137.08 36.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -83.67 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.25 169.56 20.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -125.97 41.28 3.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -75.15 -55.61 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 12.8 m95 -97.53 145.26 26.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.8 m -103.3 154.91 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ASP . 11.5 mm-40 -47.79 -62.03 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' GLN . 9.3 m-20 -36.54 -65.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.596 ' CD ' ' CD2' ' A' ' 128' ' ' PHE . 1.5 mm-40 -55.92 -36.82 68.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.1 m -60.43 -60.15 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.22 -44.19 92.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.3 m -59.6 -58.19 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -58.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -50.54 -50.42 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.8 ttp -46.32 -60.5 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -54.84 -25.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.703 ' NH1' HD11 ' A' ' 119' ' ' ILE . 2.6 tpm_? -73.23 -46.58 49.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 -65.51 -26.19 67.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.84 -34.61 27.05 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.458 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.477 ' SD ' ' CG1' ' A' ' 119' ' ' ILE . 72.7 mtp -91.25 -5.95 54.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -39.84 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.36 -51.43 31.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.684 HD13 HD22 ' A' ' 115' ' ' LEU . 26.0 mt -54.0 -51.81 62.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.517 ' CE1' ' NH1' ' A' ' 99' ' ' ARG . 8.2 m-85 -55.47 -13.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.7 -46.0 27.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 93.3 m -123.79 82.95 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -171.01 135.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -75.09 -54.49 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.7 t -116.13 115.47 26.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -90.56 41.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -71.01 -52.52 19.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -62.72 -37.81 87.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.684 HD22 HD13 ' A' ' 105' ' ' LEU . 6.3 mt -58.69 -54.32 48.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -64.99 -28.6 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -71.11 -59.51 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -48.64 -41.28 30.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.703 HD11 ' NH1' ' A' ' 99' ' ' ARG . 78.9 mt -59.87 -64.25 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.136 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.4 t -38.41 -41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 15.9 t -74.44 -43.84 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.82 -40.87 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -83.08 -25.62 31.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -72.23 -40.19 67.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.91 -34.86 65.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -51.9 -32.89 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.43 37.28 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' CD ' ' A' ' 91' ' ' GLU . 4.6 m-85 -141.86 105.6 4.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -62.45 116.4 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 7.8 mmp_? -145.17 161.97 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -112.8 161.15 27.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -28.46 24.96 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.76 -27.23 61.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.9 mmt -72.45 -42.99 64.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -65.28 -49.77 68.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 63.6 m -54.38 -54.72 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -61.89 -45.6 93.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -52.93 -52.96 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.689 ' CD1' HD11 ' A' ' 143' ' ' LEU . 72.4 t-105 -52.17 -48.71 64.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -47.21 -55.04 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.08 -43.92 87.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.7 mt -57.25 -52.14 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.689 HD11 ' CD1' ' A' ' 139' ' ' TRP . 33.8 mt -48.06 -53.28 16.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -52.1 -41.47 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -68.27 -44.4 75.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -58.61 -50.77 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -51.32 161.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 160.15 34.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . 49.87 36.16 10.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -104.86 -50.72 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -141.3 131.51 24.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -114.09 157.26 22.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -169.72 148.41 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -130.95 85.58 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -136.29 153.2 21.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -158.83 164.41 35.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -151.24 115.44 0.7 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 159' ' ' ALA . 49.4 m -75.11 -58.12 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . 68.78 35.39 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -138.35 129.47 27.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtm -144.88 176.84 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 5.9 t -147.28 160.75 42.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -90.65 164.24 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -171.35 152.3 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -148.42 168.02 23.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -92.68 86.46 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -94.44 137.41 33.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -145.05 114.04 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -111.84 102.8 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.96 149.62 29.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -97.12 134.22 40.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.9 m -95.1 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 90' ' ' ASP . 40.2 mt-30 -45.33 -61.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 89' ' ' GLN . 77.1 m-20 -35.87 -70.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 95' ' ' LEU . 76.8 mt-10 -44.05 -40.25 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.99 -61.01 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -53.95 -56.02 21.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 -56.97 14.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 13.8 tp -40.49 -56.62 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.2 mt -51.49 -56.12 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -47.16 -63.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -40.41 -49.58 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' ' CE2' ' A' ' 139' ' ' TRP . 13.7 tpt180 -55.53 -63.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -44.41 -24.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.27 -52.11 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.621 ' HB3' HD12 ' A' ' 105' ' ' LEU . 22.8 mtp -95.9 18.46 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.736 0.303 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.9 OUTLIER -55.0 -55.91 25.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -45.7 1.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.521 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 102' ' ' MET . 40.4 mt -56.38 -48.3 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.878 0.37 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 27.2 m-85 -54.42 -53.16 57.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -42.92 -52.78 5.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 50.9 p -111.93 87.76 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.4 t -173.57 112.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -42.37 -49.59 5.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 t -133.93 130.25 37.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.3 p30 -90.21 12.76 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -47.43 -53.96 12.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -59.14 -53.95 52.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.26 -64.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -43.37 -52.16 6.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -53.81 -48.91 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -54.99 -52.33 63.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.8 mt -54.38 -58.18 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.4 t -46.81 -39.36 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -69.7 -45.24 68.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -61.04 -57.87 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -56.48 -31.01 63.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -68.69 -34.85 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.87 -42.53 76.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 8.3 mmpt? -44.45 -37.09 3.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.75 29.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -130.32 104.39 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -73.45 96.62 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.4 mmt-85 -123.5 165.8 16.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.3 m -101.86 156.69 34.91 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.702 0.763 . . . . 0.0 110.802 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -36.98 9.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.64 2.227 . . . . 0.0 112.353 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -63.65 -25.57 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.1 mmt -77.18 -40.71 44.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 60.0 m -61.83 -40.43 95.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.2 m -70.72 -53.68 14.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -58.14 -42.74 86.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -61.49 -55.03 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.755 ' HA ' HD12 ' A' ' 142' ' ' LEU . 74.5 t-105 -53.41 -40.78 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 34.7 mmt-85 -55.53 -55.98 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -56.69 -35.76 68.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 139' ' ' TRP . 56.4 mt -61.96 -37.78 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.79 -62.13 1.56 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -53.03 -24.39 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -85.38 -36.04 20.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 7.6 m-85 -67.27 -36.97 82.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.62 54.99 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -96.64 146.86 24.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -41.65 123.54 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 152' ' ' HIS . 15.2 tptm -136.29 156.25 48.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 38.4 m-70 -86.22 39.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -79.53 90.67 5.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -116.79 -43.42 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 155' ' ' GLY . 2.8 ptp180 -47.88 -31.76 5.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 154' ' ' ARG . . . 35.4 54.57 0.99 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 155' ' ' GLY . 19.6 p-10 -35.83 134.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -77.84 138.64 21.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.541 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 m -89.6 -58.19 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -155.23 130.41 9.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 161' ' ' MET . 20.5 ttmt -78.22 139.19 38.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 160' ' ' LYS . 7.8 ptt? -36.08 135.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 10.1 t -151.18 132.95 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -135.88 141.79 44.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -101.65 160.57 14.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -53.37 160.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.865 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -101.04 119.37 38.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.99 100.55 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.06 165.85 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -83.73 -51.78 6.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.449 ' O ' ' NH2' ' A' ' 130' ' ' ARG . 95.0 m -41.76 -46.16 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.167 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -105.65 113.62 27.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.519 HG22 ' OE2' ' A' ' 91' ' ' GLU . 34.3 m -88.98 169.76 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -48.98 -35.96 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -64.12 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -44.07 -44.68 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 93' ' ' ARG . 0.7 OUTLIER -66.03 -70.86 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 -179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 92' ' ' THR . 6.0 mmt85 -36.69 -53.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.509 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 m -63.1 -49.49 74.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD11 HH12 ' A' ' 99' ' ' ARG . 14.4 tp -44.75 -54.49 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.67 -38.86 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -58.01 -58.89 6.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 16.6 m-85 -51.52 -34.83 37.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.454 ' CZ ' ' CZ3' ' A' ' 116' ' ' TRP . 16.1 mmt-85 -59.8 -56.6 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -49.79 -44.19 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.28 -31.34 80.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.6 mmm -93.12 -12.55 30.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -38.7 -45.8 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.11 -41.93 61.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.49 -50.56 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -42.56 -39.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -84.23 -60.86 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.3 m -54.82 -63.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.0 t -58.32 153.26 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.1 mttt -93.31 -41.3 9.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -92.38 135.64 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -97.89 -29.72 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -43.93 -54.78 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -56.53 -53.35 58.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mt -49.23 -60.06 3.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.454 ' CZ3' ' CZ ' ' A' ' 99' ' ' ARG . 72.4 m95 -46.9 -50.48 18.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -48.51 -39.54 23.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.26 -43.83 80.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.04 -61.83 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -45.82 -46.35 15.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.8 t -60.52 -43.66 96.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -67.25 -58.87 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.587 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.1 ptm -57.88 -17.63 17.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 124' ' ' ARG . 6.1 tmm_? -84.99 -47.07 10.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.92 -42.88 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -46.64 -40.88 13.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 141.94 40.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.589 ' CE1' ' OE1' ' A' ' 91' ' ' GLU . 10.1 m-85 -140.67 105.2 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -83.6 111.83 19.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.449 ' NH2' ' O ' ' A' ' 86' ' ' THR . 36.1 mmt180 -142.18 165.56 27.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 m -94.38 161.64 28.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -27.22 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.649 2.232 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.4 -19.68 62.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 34.2 mtp -78.16 -49.19 14.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.3 m -62.59 -42.5 99.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.2 m -63.61 -54.26 38.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.92 -60.7 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -40.56 -48.95 2.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -52.78 -56.7 13.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -42.79 -51.0 5.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.68 -44.74 89.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 54.2 mt -54.48 -38.86 66.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.47 -40.7 80.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -62.6 -51.89 65.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.949 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.519 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.9 pp20? -65.04 -33.79 76.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.574 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.8 m-85 -61.47 -47.5 85.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -73.52 -72.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -97.71 151.44 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -90.13 78.91 6.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 tttp -143.24 108.52 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.462 ' C ' ' CG ' ' A' ' 152' ' ' HIS . 9.5 t-160 -129.02 -52.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.462 ' CG ' ' C ' ' A' ' 151' ' ' HIS . 4.1 p80 42.69 43.18 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -109.09 164.26 12.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -110.03 -47.03 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.63 101.66 0.21 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -174.79 161.93 3.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 100.4 76.63 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.5 m -168.33 110.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.82 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -164.3 110.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -135.83 131.38 35.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 23.9 mtp -146.62 136.76 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 87.0 p -170.1 168.05 8.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -170.97 153.73 3.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -108.42 164.99 11.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.75 133.29 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -100.62 167.66 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.32 159.65 23.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.29 63.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 42.3 37.69 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.6 m -64.8 -59.3 4.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.469 ' CH2' ' NH1' ' A' ' 130' ' ' ARG . 14.5 m95 -77.23 133.04 38.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.8 m -81.12 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.155 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -49.96 -40.7 44.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.43 -63.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 88' ' ' VAL . 51.3 mt-10 -52.78 -43.05 65.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.9 m -59.85 -55.07 38.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -60.18 -57.23 13.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 23.7 m -51.09 -46.11 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.63 HD11 ' NH2' ' A' ' 99' ' ' ARG . 10.0 tp -49.1 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.1 mt -47.78 -47.51 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 42.4 mtp -49.86 -68.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 38.2 m-85 -37.99 -43.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.63 ' NH2' HD11 ' A' ' 95' ' ' LEU . 8.9 tpp85 -59.84 -68.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 99' ' ' ARG . 64.0 mtt180 -34.66 -37.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.47 -48.46 57.23 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.0 mtp -95.01 14.73 20.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.31 -36.67 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.439 ' O ' HG22 ' A' ' 108' ' ' THR . . . -66.13 -50.79 49.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.443 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -46.33 -34.15 4.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.429 ' CE1' ' HD3' ' A' ' 99' ' ' ARG . 22.3 m-85 -65.28 -34.53 78.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.82 -59.83 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 109' ' ' SER . 10.1 t -59.98 -48.3 82.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.535 ' N ' HG23 ' A' ' 108' ' ' THR . 1.1 t -94.77 90.5 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -48.98 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -54.26 106.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -94.02 -25.56 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -54.16 -36.17 63.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.437 ' CD2' ' NE2' ' A' ' 118' ' ' GLN . 26.5 t60 -72.21 -42.02 66.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.31 -47.47 79.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 73.2 m95 -59.31 -47.86 83.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -59.26 -33.42 71.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.437 ' NE2' ' CD2' ' A' ' 114' ' ' HIS . 43.1 mt-30 -74.58 -54.17 7.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.498 HD13 ' HE ' ' A' ' 99' ' ' ARG . 55.6 mt -51.57 -38.68 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.9 p -67.17 -51.97 47.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.4 t -58.04 -38.17 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.65 -64.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.589 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.4 ppp? -59.96 -25.55 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.2 ttp85 -65.44 -41.28 93.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -56.17 -36.7 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -49.04 -38.46 23.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 138.71 36.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -136.89 119.02 15.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -95.25 97.82 10.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.502 ' CZ ' ' SG ' ' A' ' 135' ' ' CYS . 15.3 ptt180 -128.23 167.57 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 p -101.65 156.17 35.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.647 0.737 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -24.49 29.55 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.78 -27.01 67.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.4 mtp -73.22 -54.63 7.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.502 ' SG ' ' CZ ' ' A' ' 130' ' ' ARG . 3.9 m -50.8 -46.11 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 16.2 m -61.16 -59.38 5.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -58.21 -62.45 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -41.05 -52.27 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.846 ' HA ' HD12 ' A' ' 142' ' ' LEU . 77.4 t-105 -52.31 -54.7 28.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 28.0 mtt180 -46.38 -49.38 17.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -61.4 -45.48 94.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.846 HD12 ' HA ' ' A' ' 139' ' ' TRP . 38.0 mt -49.78 -53.92 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 43.2 mt -53.44 -51.76 61.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -49.5 -39.38 33.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -71.79 -49.95 34.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -53.51 -44.4 69.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp 66.51 46.04 1.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -54.07 158.02 2.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 73.47 6.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.12 -177.78 5.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -52.19 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -152.28 145.59 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.3 86.25 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 160.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.16 95.19 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 32.4 p-10 -164.63 160.12 19.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -171.5 142.16 6.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 43.5 p -162.58 157.25 21.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -170.08 162.56 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.4 172.76 12.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -151.75 177.17 10.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 7.3 t -155.65 176.73 12.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -171.25 158.06 5.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -141.57 168.84 18.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -93.06 171.16 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 mptt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -76.89 -44.33 32.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 83' ' ' ARG . 2.7 ptp180 -44.63 -25.23 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -91.49 93.01 8.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -81.13 89.92 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.417 HG22 ' HD1' ' A' ' 87' ' ' TRP . 34.9 m -119.9 -45.44 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.637 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 11.9 m95 -115.11 122.93 47.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 91' ' ' GLU . 29.3 m -71.97 152.03 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -49.45 -44.27 45.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.92 -50.89 63.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -67.8 -47.61 68.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -56.66 -63.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -46.73 -58.86 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.542 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.9 m -53.41 -60.37 3.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 ' NH1' ' A' ' 99' ' ' ARG . 21.6 tp -38.32 -57.09 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.7 mt -52.17 -57.21 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 mtt -42.45 -62.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.542 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 7.7 m-85 -45.14 -45.88 11.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.758 ' HE ' HD13 ' A' ' 119' ' ' ILE . 7.6 mmt85 -60.19 -65.66 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 99' ' ' ARG . 25.9 mmm180 -34.32 -37.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' ARG . . . -71.66 -45.87 42.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.529 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.462 ' HB3' HD12 ' A' ' 105' ' ' LEU . 9.8 mtm -104.89 30.17 5.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.69 -39.47 73.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.31 -43.55 89.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 102' ' ' MET . 79.7 mt -52.89 -47.47 67.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 48.0 m-85 -58.43 -47.31 84.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -48.61 -61.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 108' ' ' THR . 9.0 t -105.06 95.11 5.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -174.74 158.18 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -99.07 -44.36 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.7 m -127.61 114.0 16.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -91.55 42.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -71.22 -46.44 61.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.409 ' CD2' ' H ' ' A' ' 114' ' ' HIS . 0.1 OUTLIER -70.1 -21.23 63.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 7.1 mt -74.92 -58.24 3.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 83.4 m95 -63.89 -27.36 69.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -77.16 -46.07 24.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.433 ' O ' ' CG ' ' A' ' 122' ' ' LYS . 36.9 mt-30 -69.48 -31.64 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD13 ' HE ' ' A' ' 99' ' ' ARG . 79.9 mt -81.36 -46.18 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.2 p -59.8 -34.53 73.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.5 p -78.65 -49.34 13.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 118' ' ' GLN . 25.3 mmtt -50.61 -44.85 57.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 5.2 ppp? -75.55 -38.57 59.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 43.2 mtp85 -59.61 -43.51 93.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -48.03 -45.72 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -41.1 -34.45 0.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.57 35.6 0.44 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 37.3 m-85 -135.49 106.5 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -75.11 90.63 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -113.1 139.8 48.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.887 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -77.17 160.12 76.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.702 0.763 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -37.92 8.63 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.12 -29.22 68.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 38.0 mmm -66.23 -71.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.9 p -42.44 -44.82 4.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 62.1 m -59.43 -62.07 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -56.35 -61.31 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.494 ' HE3' HD21 ' A' ' 142' ' ' LEU . 44.6 tptt -44.2 -54.29 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 142' ' ' LEU . 67.3 t-105 -46.74 -53.97 10.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.82 -48.85 59.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -61.08 -46.56 90.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.0 mt -45.05 -50.28 10.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 22.5 mt -60.58 -51.62 68.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -40.02 -49.58 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -64.95 -51.45 61.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.07 -43.79 51.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 29.0 tttm 54.85 43.17 30.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -41.14 142.06 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.02 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 158.84 41.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -81.11 105.01 11.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.849 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -76.27 159.36 30.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.88 159.45 31.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -146.6 157.71 43.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -117.3 -146.57 8.34 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -140.38 169.84 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -97.97 -163.7 31.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.0 p -112.86 168.36 9.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -81.3 173.25 12.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -88.84 116.65 27.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.41 135.88 35.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 50.9 m -159.63 168.54 25.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -174.36 140.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.5 OUTLIER -172.22 135.04 0.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.919 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -99.31 142.94 30.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' ARG . 9.3 tppt? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' LYS . 74.5 mtm180 -116.54 87.56 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -126.26 127.33 45.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -75.65 83.76 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.4 p -132.82 161.43 34.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -64.68 135.39 55.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 91' ' ' GLU . 35.9 m -96.84 139.98 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 88' ' ' VAL . 8.9 mm-40 -37.09 -53.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.77 -54.76 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 88' ' ' VAL . 26.6 mt-10 -58.88 -57.29 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 m -45.26 -49.47 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.155 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -60.09 -60.2 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . 86.2 p -49.71 -58.36 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.3 tp -39.19 -56.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 mt -56.01 -35.27 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 94' ' ' SER . 22.7 ttm -63.82 -48.91 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.527 ' CE2' ' HB3' ' A' ' 123' ' ' MET . 15.6 m-85 -67.05 -40.58 87.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 99' ' ' ARG . 0.3 OUTLIER -63.71 -64.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -44.51 -43.84 8.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -36.91 93.33 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.677 ' HE1' ' O ' ' A' ' 115' ' ' LEU . 34.7 mtp -86.28 -2.94 58.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.756 0.312 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -43.17 -37.23 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -42.7 -42.78 4.9 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.467 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' HB2' HD13 ' A' ' 115' ' ' LEU . 16.7 mt -84.72 -56.03 3.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.656 ' HE2' HD11 ' A' ' 119' ' ' ILE . 36.0 m-85 -48.21 -22.21 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.35 -60.33 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 44.9 m -128.71 86.74 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 97.3 p -171.87 139.31 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' SER . 0.0 OUTLIER -99.16 170.37 8.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 53.7 m 37.53 54.98 1.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.06 48.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -70.82 -35.43 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -70.63 -37.24 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.677 ' O ' ' HE1' ' A' ' 102' ' ' MET . 5.8 mt -63.15 -54.65 34.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.591 ' HA ' HD12 ' A' ' 119' ' ' ILE . 67.1 m95 -61.23 -39.03 88.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -62.39 -55.37 28.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 8.9 pt20 -55.37 -33.64 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.656 HD11 ' HE2' ' A' ' 106' ' ' PHE . 62.8 mt -61.67 -56.54 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.4 p -56.56 -29.46 62.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.8 t -75.93 -42.43 48.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -65.51 -46.6 79.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.527 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.5 ppp? -67.89 -33.53 74.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 -60.27 -45.45 93.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -45.84 -46.15 15.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -40.17 -44.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.46 33.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -133.74 111.24 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.64 89.99 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.7 mmt-85 -128.66 158.35 38.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.9 m -96.4 159.97 30.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.35 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -45.44 -36.58 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.4 mmm -68.43 -42.81 78.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 55.8 m -55.57 -45.04 77.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 33.0 m -61.19 -58.2 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -53.01 -48.68 67.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.2 tptt -52.16 -51.93 54.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 53.5 t-105 -53.41 -47.31 69.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -48.01 -56.02 8.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -59.92 -56.44 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 35.9 mt -45.91 -37.93 6.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.06 -56.91 14.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -59.61 -25.46 64.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.73 -31.56 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -70.4 -45.9 65.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -92.71 154.37 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.411 ' CD ' ' H ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER -39.16 152.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -124.68 138.37 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.1 pttt -109.97 -27.67 9.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -121.84 86.28 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -83.99 146.47 27.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.1 139.69 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 154' ' ' ARG . 4.8 mmm180 -104.0 -46.3 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 61.63 115.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -156.08 164.19 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 150.91 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 95.4 p -144.39 129.45 18.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -167.35 109.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -134.77 141.83 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.4 ttp -172.44 161.76 5.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 9.4 t -173.54 155.36 2.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -170.77 148.11 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -175.06 172.81 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -154.27 131.69 11.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.89 156.61 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -103.73 152.05 22.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.42 91.3 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.061 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -171.04 129.95 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.5 m -120.44 98.45 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 130' ' ' ARG . 17.4 m95 -90.92 139.81 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.613 HG22 ' CD ' ' A' ' 91' ' ' GLU . 34.4 m -97.95 174.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -66.21 -36.95 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 1.0 OUTLIER -65.46 -64.0 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.613 ' CD ' HG22 ' A' ' 88' ' ' VAL . 31.2 mt-10 -48.71 -35.21 13.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.3 m -71.36 -67.54 0.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 93' ' ' ARG . 0.2 OUTLIER -48.61 -49.14 38.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' MET . 17.1 m -58.23 -59.8 4.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -37.12 -51.97 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.5 mt -57.81 -43.45 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' SER . 29.6 ttp -54.22 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 30.0 m-85 -41.48 -44.29 2.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 2.0 mmm180 -56.2 -59.79 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -44.11 -35.95 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.44 -51.87 44.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 32.7 mtp -97.61 22.53 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 104' ' ' GLY . 25.0 t0 -64.49 -54.0 39.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.07 -38.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 mt -64.66 -59.62 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 115' ' ' LEU . 44.8 m-85 -41.67 -31.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -67.52 -62.67 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.6 m -117.83 87.07 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -174.82 149.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 31.6 mttp -55.15 -174.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' LYS . 20.8 t -34.41 140.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.7 m-80 -88.13 44.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -74.63 -46.12 40.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.606 ' CD2' HD23 ' A' ' 115' ' ' LEU . 11.1 p-80 -75.97 -23.76 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.606 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.3 mt -72.29 -53.37 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -62.71 -44.91 95.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.87 -45.75 85.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -60.08 -59.35 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 71.5 mt -46.01 -40.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.3 t -60.39 -50.27 74.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -60.42 -37.81 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -66.16 -71.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 123' ' ' MET . 3.9 ppp? -51.3 -24.06 4.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -71.0 -48.86 50.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -42.97 -41.92 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -45.58 -39.88 8.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.17 31.4 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.59 105.03 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -74.84 100.37 4.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.552 ' HD2' ' CH2' ' A' ' 87' ' ' TRP . 58.2 ttp180 -109.86 161.45 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.494 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 1.7 m -103.12 161.56 22.74 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.623 0.725 . . . . 0.0 110.906 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.65 -40.25 5.73 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -62.42 -27.03 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 63.9 mmm -68.3 -72.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 18.6 p -41.75 -43.71 3.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.5 m -61.21 -55.32 33.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -63.61 -60.24 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.436 ' HE3' HD21 ' A' ' 142' ' ' LEU . 50.8 tptt -44.19 -53.61 6.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.627 ' HA ' HD12 ' A' ' 142' ' ' LEU . 61.6 t-105 -48.59 -53.92 16.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -50.12 -46.25 53.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -63.61 -40.19 96.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 139' ' ' TRP . 43.4 mt -58.55 -37.29 75.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.3 mt -69.43 -39.72 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -59.69 -42.88 93.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -77.47 -28.68 52.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.522 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -64.13 -50.86 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 148' ' ' LYS . 17.1 ptmt -64.37 167.24 7.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -34.68 132.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.75 -179.61 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -119.7 99.07 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -169.04 159.97 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -151.84 124.6 8.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -163.67 119.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -172.32 108.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -141.58 134.59 6.33 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -169.6 -178.11 2.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.918 0.39 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -176.29 169.73 42.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 11.1 t -174.13 162.03 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.59 3.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -173.38 123.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.7 mmt -115.11 -176.89 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 19.1 m -157.05 172.18 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -148.11 175.15 11.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -146.22 175.89 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -107.56 174.06 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -136.63 108.91 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -163.62 121.45 1.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.56 130.75 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.068 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.84 162.0 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 p -105.47 -29.87 9.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.424 ' CE2' ' CG ' ' A' ' 138' ' ' LYS . 7.6 m95 -104.52 146.32 29.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.633 HG22 ' OE1' ' A' ' 91' ' ' GLU . 15.5 m -85.89 142.87 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 50.1 tp60 -36.93 -59.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -42.33 -71.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.633 ' OE1' HG22 ' A' ' 88' ' ' VAL . 85.1 mt-10 -43.94 -70.18 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' GLU . 97.0 m -34.12 -65.22 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -49.13 -43.06 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 1.4 m -63.92 -63.88 1.04 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.2 tp -38.57 -45.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' CD ' ' A' ' 100' ' ' ARG . 77.6 mt -70.1 -40.21 78.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' SER . 38.1 ttp -57.77 -58.13 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' A' ' 123' ' ' MET . 24.5 m-85 -54.48 -47.18 73.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' NH1' ' O ' ' A' ' 99' ' ' ARG . 4.9 mmm180 -63.96 -32.39 73.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.474 ' CD ' HG22 ' A' ' 96' ' ' ILE . 53.7 mtp180 -66.73 -41.89 87.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.92 -19.28 73.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.491 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 103' ' ' ASP . 37.5 mtp -101.15 -12.55 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.326 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.462 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER -36.21 -50.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.462 ' N ' ' CG ' ' A' ' 103' ' ' ASP . . . -37.64 -59.83 1.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.0 mt -50.83 -55.18 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -42.36 -34.75 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -57.59 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.8 t -85.62 44.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.9 m -150.7 127.46 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.7 mttp -73.02 -51.94 16.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 47.4 t -107.17 114.38 28.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -88.87 39.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -76.29 -47.02 25.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 115' ' ' LEU . 6.2 p-80 -74.44 -21.86 59.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 114' ' ' HIS . 7.4 mt -75.25 -45.65 38.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -69.77 -37.03 76.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -67.74 -54.29 20.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 119' ' ' ILE . 5.5 pt20 -54.85 -37.22 65.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.474 ' N ' ' HG3' ' A' ' 118' ' ' GLN . 62.7 mt -65.99 -50.64 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 84.3 p -47.61 -48.76 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.9 t -63.33 -38.81 92.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -66.85 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.568 ' HB3' ' CD2' ' A' ' 98' ' ' PHE . 5.0 ptm -55.41 -20.66 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -81.42 -46.56 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -45.06 -46.44 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -41.02 -42.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.33 37.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.533 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.41 111.48 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -83.35 91.77 7.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -133.24 158.73 42.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -93.5 159.78 34.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.667 0.746 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.19 25.58 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -60.1 -41.27 92.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.0 mmm -69.26 -41.94 76.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 64.2 m -54.13 -45.1 71.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.1 m -65.05 -48.4 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.48 -30.02 70.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.424 ' CG ' ' CE2' ' A' ' 87' ' ' TRP . 1.3 tmtm? -67.33 -42.71 83.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -65.53 -44.48 86.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -55.8 -54.9 38.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -54.94 -43.33 73.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 62.1 mt -58.39 -36.2 73.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.95 -64.72 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -49.56 -34.65 18.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -72.89 -42.68 63.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.501 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.7 m-85 -56.37 -44.95 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 148' ' ' LYS . 2.1 tppp? -83.82 131.79 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 147' ' ' LYS . 19.1 mmmt -37.22 129.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -102.99 42.82 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -106.55 134.88 49.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -113.41 150.64 32.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -119.56 164.41 15.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -132.97 116.43 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -128.3 129.79 6.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -68.08 -46.04 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.925 0.393 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 91.54 158.71 34.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.5 t -161.95 159.25 26.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -148.64 149.82 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -143.36 176.59 9.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttt -103.62 116.63 32.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 94.0 p -41.63 133.94 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -156.33 148.7 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 164' ' ' TYR . 0.1 OUTLIER -141.83 169.65 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -54.98 175.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -115.79 100.72 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -150.86 172.55 15.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.77 155.13 37.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 50.82 47.17 25.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.3 p -119.23 153.07 35.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 91' ' ' GLU . 15.6 m95 -83.67 137.89 33.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.728 HG23 ' H ' ' A' ' 91' ' ' GLU . 14.6 m -91.75 166.88 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -68.05 -25.16 65.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.86 -54.15 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.728 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.4 mt-10 -61.55 -41.29 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.9 m -61.94 -54.86 35.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.18 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -60.4 -53.35 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.468 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 60.9 m -54.35 -58.55 6.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -39.57 -58.62 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.4 mt -54.19 -48.69 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 95.0 mtp -51.07 -67.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 94' ' ' SER . 34.4 m-85 -37.98 -51.23 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 4.7 mmm180 -54.4 -61.9 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 13.3 mtp-105 -39.83 -38.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.85 -46.23 83.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.9 mtp -97.08 19.04 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -43.23 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -49.29 -46.82 35.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.437 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 106' ' ' PHE . 40.7 mt -60.03 -66.77 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 44.3 m-85 -36.56 -34.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 105' ' ' LEU . 38.7 t-20 -79.39 -48.7 13.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.6 p -115.4 83.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -157.28 169.39 24.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -95.01 -41.67 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.4 p -131.33 127.27 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.3 -8.39 50.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -46.51 89.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.57 -38.84 75.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.5 -54.45 28.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -56.11 -27.18 52.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.56 -56.91 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.423 ' CG ' ' N ' ' A' ' 119' ' ' ILE . 3.9 pt20 -58.71 -43.61 90.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.443 HD13 ' HD3' ' A' ' 99' ' ' ARG . 94.2 mt -57.55 -53.09 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.072 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 70.8 p -54.88 -32.74 61.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.7 m -74.17 -33.8 63.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -75.01 -33.53 61.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.45 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 5.2 ppp? -83.71 -24.46 31.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.421 ' HD3' ' C ' ' A' ' 124' ' ' ARG . 4.8 tmt_? -80.06 -39.93 28.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.89 -21.72 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -66.57 -39.08 88.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.99 32.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -136.1 105.23 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.99 87.84 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 130' ' ' ARG . 0.1 OUTLIER -119.28 142.6 47.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -73.49 158.0 87.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.626 0.727 . . . . 0.0 110.907 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -33.91 15.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.32 -26.18 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 3.0 mmt -74.91 -60.44 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 37.3 m -49.38 -44.33 44.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 93.0 m -61.04 -55.08 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.3 -59.37 5.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -43.04 -47.8 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.776 ' HA ' HD12 ' A' ' 142' ' ' LEU . 57.8 t-105 -53.55 -51.01 64.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.556 ' HA ' HD12 ' A' ' 143' ' ' LEU . 9.1 mtp85 -49.78 -59.57 3.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -48.07 -43.92 31.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 139' ' ' TRP . 30.4 mt -56.46 -39.99 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 140' ' ' ARG . 22.3 mt -62.61 -41.26 98.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -58.63 -50.71 72.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 8.5 m-85 -48.28 -46.4 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -73.22 108.46 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.42 110.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -171.08 126.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 40.2 tttt 41.26 41.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -51.22 -60.76 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 152' ' ' HIS . 43.1 p-80 -63.38 102.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -118.56 -44.94 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -96.72 -58.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 136.13 -54.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -162.9 157.17 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 158' ' ' SER . . . -143.59 -78.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 157' ' ' GLY . 21.7 m 35.94 46.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -99.85 142.13 31.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 -175.03 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 4.4 ttt -163.19 152.1 14.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 36.4 p -157.88 158.87 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -158.44 146.57 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -166.48 138.4 3.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 166' ' ' GLU . 0.0 OUTLIER -120.79 162.72 19.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.417 ' C ' ' HD2' ' A' ' 165' ' ' LYS . 12.5 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 stop_ save_