data_2dhm_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 2dhm _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 ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.719 0.295 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.494 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE1' ' HE2' ' A' ' 66' ' ' MET . 68.5 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.565 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 86' ' ' THR . 15.1 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' LYS . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 11' ' ' ARG . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.55 ' CD2' ' CD1' ' A' ' 82' ' ' LEU . 3.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.92 0.391 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' HG21 ' A' ' 86' ' ' THR . 84.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 5.6 m-70 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 80' ' ' HIS . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.447 ' N ' HG12 ' A' ' 79' ' ' VAL . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.411 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HG2' ' CG1' ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.431 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 26' ' ' PHE . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' N ' HG11 ' A' ' 25' ' ' VAL . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.502 HD11 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 75' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG22 ' CD2' ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 28' ' ' GLU . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.561 ' CD2' HG11 ' A' ' 79' ' ' VAL . 3.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 46' ' ' PHE . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.7 0.285 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD1' HD12 ' A' ' 50' ' ' LEU . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 27' ' ' LEU . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' ARG . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' OE2' ' NZ ' ' A' ' 17' ' ' LYS . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' LYS . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 15' ' ' GLU . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.452 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 50' ' ' LEU . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG11 ' A' ' 49' ' ' VAL . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 55' ' ' PHE . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.518 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' TYR . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' GLU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LYS . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.405 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' TYR . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CD1' HG22 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 16' ' ' GLU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 70' ' ' THR . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.491 ' CD2' HD11 ' A' ' 82' ' ' LEU . 1.6 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.961 0.41 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.459 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 21' ' ' ALA . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' HG23 ' A' ' 78' ' ' THR . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 68' ' ' TYR . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LYS . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.455 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' C ' HD21 ' A' ' 50' ' ' LEU . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' A' ' 86' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 63' ' ' ARG . 16.3 t30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 65' ' ' ARG . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 64.3 t60 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.573 ' CG2' ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 86' ' ' THR . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.443 HG21 ' CD2' ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' LYS . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 55' ' ' PHE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 84' ' ' LEU . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 68' ' ' TYR . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' ARG . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.422 ' CE ' HG22 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' HG21 ' A' ' 86' ' ' THR . 88.1 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 76' ' ' SER . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' N ' HD11 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.553 HG21 ' CE2' ' A' ' 55' ' ' PHE . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LYS . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.539 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.44 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 71' ' ' LEU . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 80' ' ' HIS . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' N ' HG12 ' A' ' 79' ' ' VAL . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 83' ' ' ALA . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' N ' HD13 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 10' ' ' ILE . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' GLU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.413 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.531 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 84' ' ' LEU . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.428 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 67' ' ' ILE . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' HG21 ' A' ' 79' ' ' VAL . 3.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 79' ' ' VAL . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 46' ' ' PHE . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' PHE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.455 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 82' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 75' ' ' LEU . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.61 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' ARG . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' LYS . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' N ' HG21 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.411 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 29' ' ' VAL . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG23 ' CG ' ' A' ' 15' ' ' GLU . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' NZ ' ' A' ' 47' ' ' LYS . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' HG23 ' A' ' 30' ' ' VAL . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 50' ' ' LEU . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 27' ' ' LEU . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.541 HG23 ' CE2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' LYS . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' CD ' ' A' ' 15' ' ' GLU . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HZ1' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HZ1' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' CD ' ' CD2' ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' LYS . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -64.95 136.41 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -52.51 161.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.82 -83.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -142.28 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 172.93 21.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -123.37 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm -74.8 122.37 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.65 125.9 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 p -88.67 178.75 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.11 135.55 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 28.4 mtm105 -113.85 -40.71 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -110.78 152.04 27.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -69.08 -47.16 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -47.77 147.55 3.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.11 9.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.68 110.94 21.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.3 47.0 1.03 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 t -114.37 -60.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.01 156.46 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -128.51 88.38 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -48.91 123.08 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -154.57 140.09 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.494 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE1' ' HE2' ' A' ' 66' ' ' MET . 68.5 m-85 -89.83 32.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 56' ' ' THR . 9.6 t -67.51 79.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.55 46.36 2.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.45 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -159.1 166.87 30.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -90.7 -33.81 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 56.1 mt -86.51 -39.97 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.19 -21.22 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.565 ' HE2' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.438 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.54 56.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 95' ' ' LEU . 6.5 tt -55.33 -61.91 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.13 -63.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.68 141.26 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.8 p -136.48 121.54 18.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.0 t -90.93 134.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -67.05 83.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.53 94.11 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 m -129.68 78.24 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.79 67.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.06 67.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.58 173.06 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -130.97 158.66 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -83.47 42.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -43.93 -43.84 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.5 39.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -157.57 137.6 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.1 160.25 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 110.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mmt -110.21 85.08 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.0 142.92 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.433 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -106.41 89.55 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 141.02 51.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 141.08 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -69.11 -34.41 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -73.6 113.01 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.63 -58.53 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -41.04 148.8 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.72 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.26 165.42 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.92 75.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 m -125.53 99.48 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 61.14 41.72 13.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -111.96 94.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -94.68 160.47 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -127.4 131.79 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.514 ' CE2' HG21 ' A' ' 86' ' ' THR . 15.1 m-85 -89.68 37.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.439 ' HG1' ' N ' ' A' ' 57' ' ' GLY . 4.4 t -39.68 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' N ' ' HG1' ' A' ' 56' ' ' THR . . . -93.4 66.91 1.72 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -99.55 -72.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.31 178.91 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -89.34 -34.22 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.58 -41.13 15.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -41.44 -35.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.456 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.514 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' O ' ' CG1' ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.71 59.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.01 -40.34 60.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 30.0 pt20 -54.55 -45.72 73.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 4.1 m-20 -88.25 123.45 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 99' ' ' VAL . 86.9 m -96.69 -52.51 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 98' ' ' THR . 33.4 m -34.04 122.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 101' ' ' ALA . 12.8 t80 -111.46 141.09 45.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' CE2' ' A' ' 100' ' ' PHE . . . -70.46 166.05 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -135.69 144.36 48.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.754 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.64 65.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.98 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.4 t -126.78 146.33 50.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -49.22 -62.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -135.74 133.76 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -148.97 173.48 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.59 159.99 28.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -126.24 167.56 15.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -158.32 127.33 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 12' ' ' GLU . . . 131.05 77.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 mmm -82.23 50.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp -64.27 164.29 11.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' CG2' HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' LYS . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 11' ' ' ARG . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.27 74.91 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -71.45 147.45 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 33.7 p90 -132.3 108.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -70.85 -51.69 24.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -84.0 106.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.78 -49.2 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.69 150.0 19.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.09 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.82 -174.93 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.05 60.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.419 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 t -122.59 112.01 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.0 110.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -110.48 88.86 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 46' ' ' PHE . 46.3 t-80 -123.69 154.11 39.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.55 ' CD2' ' CD1' ' A' ' 82' ' ' LEU . 3.3 t80 -102.7 143.11 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CZ ' HG21 ' A' ' 86' ' ' THR . 84.7 m-85 -87.36 36.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 t -101.11 131.44 47.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 50.68 54.68 20.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.01 -174.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -83.76 152.58 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.2 -15.63 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.1 -49.93 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -60.02 -19.96 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 5.6 m-70 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 80' ' ' HIS . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.447 ' N ' HG12 ' A' ' 79' ' ' VAL . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.55 ' CD1' ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.38 69.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.0 -32.78 68.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -111.87 35.32 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.07 177.49 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -165.67 144.28 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 100' ' ' PHE . 7.1 p -119.07 138.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.433 ' N ' HG21 ' A' ' 99' ' ' VAL . 32.4 m-85 -54.43 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.48 172.36 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -97.24 152.42 38.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.11 25.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.78 15.76 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.92 -178.77 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -47.43 157.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -145.91 133.66 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -139.15 157.82 45.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.83 63.5 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -83.97 115.84 22.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -88.24 119.68 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.09 161.07 10.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 mmt -123.07 82.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp -109.43 154.28 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HG2' ' CG1' ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' HA ' ' CD2' ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 26' ' ' PHE . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' N ' HG11 ' A' ' 25' ' ' VAL . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.53 125.26 54.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -75.28 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.41 128.02 55.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -92.17 -44.24 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 152.94 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -94.53 45.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -152.34 147.32 19.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . . . -80.55 -17.14 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . . . 34.27 46.29 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.5 p -167.1 122.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.95 109.9 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 m -81.4 -39.88 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -124.87 99.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -130.35 129.58 43.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.439 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 -89.76 34.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.0 t -85.59 -47.08 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -126.1 50.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' C ' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -85.88 -175.81 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -114.13 153.5 29.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -42.73 -54.84 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ASN . 4.2 mp -74.84 -59.49 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LEU . 35.1 t30 -35.07 -38.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.502 HD11 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' ' 75' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.37 65.03 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.2 tp -69.98 -46.38 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -102.77 42.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.47 164.32 17.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.7 p -108.65 105.39 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.61 134.69 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -113.64 -46.58 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 132.59 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -137.26 150.6 69.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.12 34.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.46 27.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.1 t -41.62 150.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 1.9 tmm_? -108.59 149.34 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -168.46 107.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -146.07 127.7 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.54 -63.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -103.8 110.29 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -67.9 -37.73 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.83 151.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.28 41.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm -98.05 136.63 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG22 ' CD2' ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' C ' HG23 ' A' ' 29' ' ' VAL . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG23 ' C ' ' A' ' 28' ' ' GLU . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 19.3 pt-20 -127.4 -174.75 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.7 m -145.65 170.26 16.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -133.8 123.62 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -99.7 -41.33 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.2 157.14 30.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -85.41 28.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.4 m -129.99 148.73 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 102.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.73 141.97 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.97 119.87 4.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -83.72 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 172.76 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.0 m -116.07 100.12 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m-70 -54.73 -14.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.561 ' CD2' HG11 ' A' ' 79' ' ' VAL . 3.0 t80 -100.94 124.18 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.537 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 -89.54 -31.72 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -80.93 119.94 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.54 -52.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -100.38 -74.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 11.3 tpp180 -168.61 110.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.473 ' CE2' ' CD2' ' A' ' 61' ' ' LEU . 1.4 p90 -37.57 -32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.473 ' CD2' ' CE2' ' A' ' 60' ' ' PHE . 4.3 mm? -58.51 -57.02 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.79 -28.46 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 46' ' ' PHE . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD1' HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.93 56.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -45.42 92.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -54.31 -47.25 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.95 169.23 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.2 p -127.07 116.33 20.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.3 t -46.21 134.26 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 7.2 p90 -101.32 37.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.03 121.24 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.8 p -85.24 151.39 56.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.59 69.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.18 99.91 11.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -144.75 163.54 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -173.04 122.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.335 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -156.0 170.11 22.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 128.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -142.24 144.83 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -161.77 165.97 27.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.06 40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 ptt? 39.49 37.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm -76.41 167.42 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HG21 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' CD1' HD12 ' A' ' 50' ' ' LEU . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -119.54 81.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 p -125.31 115.06 19.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.28 -42.51 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 35.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 37' ' ' ASN . 2.8 p80 -51.8 -48.59 63.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' HIS . 7.1 t-20 -34.38 -53.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -94.38 150.19 37.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.12 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.64 -177.73 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.0 -115.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 p -150.9 129.9 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -96.21 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p 42.0 47.01 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -130.82 94.59 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 -160.16 129.01 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD12 ' CD1' ' A' ' 27' ' ' LEU . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.564 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 -91.71 41.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -99.65 131.9 45.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 75.33 -58.54 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' GLY . 22.0 mt-10 -34.77 143.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 59' ' ' ARG . 6.6 mmp_? -64.43 -179.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 72.3 m-85 -72.01 -45.56 60.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.16 -36.39 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -58.62 -35.7 72.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 60' ' ' PHE . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' OE2' ' NZ ' ' A' ' 17' ' ' LYS . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 95' ' ' LEU . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.73 46.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -49.18 -47.38 46.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -78.97 47.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.72 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -166.2 149.81 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -45.62 -22.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -120.89 133.88 55.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.63 -39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.4 p -160.18 149.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.18 69.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.27 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.4 53.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.09 155.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -46.98 -47.8 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.6 p 34.3 43.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.405 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -100.92 126.53 47.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.31 114.19 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -159.26 106.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -104.77 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.43 97.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -157.03 106.61 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp -137.26 178.51 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' LYS . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG22 ' CD ' ' A' ' 15' ' ' GLU . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? -127.59 118.25 23.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' TYR . 69.9 m -122.5 -10.82 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' HB3' ' CG2' ' A' ' 38' ' ' VAL . 24.1 m-85 34.68 47.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 18.5 mtm105 -95.9 -42.07 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 19.4 p80 -82.92 -53.52 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 7.0 t30 -52.66 -50.54 63.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 34' ' ' TYR . 34.8 m -128.2 151.9 76.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.6 Cg_endo -69.77 -172.82 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.619 2.212 . . . . 0.0 112.348 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.53 129.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.48 97.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 p -174.59 143.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -100.83 137.65 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -66.39 83.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -109.63 97.96 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -107.22 139.06 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 50' ' ' LEU . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 ' N ' HG11 ' A' ' 49' ' ' VAL . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.518 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 -92.28 37.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.7 t -93.44 -21.17 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.26 35.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.67 171.4 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -64.89 150.42 47.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.06 -43.2 86.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' ASN . 7.0 mp -64.02 -61.34 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LEU . 22.8 m-20 -37.11 -45.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' TYR . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 73' ' ' GLU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.65 55.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -52.49 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -88.42 40.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -161.83 118.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.3 p -116.05 109.1 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.12 146.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -109.37 161.62 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.99 168.43 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.6 p -153.2 143.1 15.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.9 43.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.67 10.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.59 172.68 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -57.79 176.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -75.23 173.15 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -113.08 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.53 147.1 4.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.59 155.14 14.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -98.14 141.44 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.02 -151.62 5.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mtp 61.53 42.21 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm -103.32 171.01 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 17' ' ' LYS . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -96.41 51.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 43.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 34' ' ' TYR . 16.6 p90 -117.5 45.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' HA ' ' CG2' ' A' ' 38' ' ' VAL . 15.7 ptm180 -75.83 -42.17 50.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m-70 -37.01 -45.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -67.94 -65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 35' ' ' ARG . 16.7 m -61.65 149.96 82.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ALA . 54.0 Cg_endo -69.69 146.96 62.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -36.36 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.4 -118.99 0.84 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -162.23 124.74 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.19 131.78 54.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -125.54 44.19 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -90.12 90.09 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -125.99 129.0 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -91.0 38.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' GLY . 10.8 t -90.99 121.51 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.54 76.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -146.85 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -44.24 164.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -90.14 -41.32 11.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 64' ' ' HIS . 9.1 tp -79.74 -51.67 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -35.82 -34.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' LEU . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' LEU . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' TYR . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . -172.84 72.07 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.6 tt -78.33 -34.1 48.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.88 38.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -162.14 142.16 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.3 p -139.13 106.91 5.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 100' ' ' PHE . 89.9 t -65.38 143.43 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.442 ' N ' HG12 ' A' ' 99' ' ' VAL . 46.9 t80 -87.92 148.32 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.26 150.22 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 t -118.88 142.29 31.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.64 43.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' CYS . 53.9 Cg_endo -69.81 141.26 44.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' PRO . 16.8 t 35.08 49.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -170.0 156.88 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -135.66 134.76 39.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -172.46 133.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -140.25 2.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -86.26 82.99 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.41 77.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.98 172.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.2 ttm -103.67 80.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm -65.51 103.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' CD1' HG22 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 16' ' ' GLU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ARG . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 70' ' ' THR . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.61 89.37 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -124.46 116.07 21.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -60.66 125.54 24.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.28 -39.53 83.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -44.84 170.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.1 44.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -91.18 147.87 36.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.175 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 176.32 6.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.31 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 162.59 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.92 -85.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -76.56 -5.66 48.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -129.95 96.24 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -173.93 108.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -111.12 114.84 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.491 ' CD2' HD11 ' A' ' 82' ' ' LEU . 1.6 t80 -112.23 146.96 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 -89.31 38.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 14.9 t -95.59 114.77 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.46 -41.17 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.78 165.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -80.94 146.18 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -49.51 -47.49 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.13 -55.16 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -53.43 -37.08 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.459 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.406 HG21 ' CB ' ' A' ' 21' ' ' ALA . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 HG22 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' HG23 ' A' ' 78' ' ' THR . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.491 HD11 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 68' ' ' TYR . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . -178.3 58.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' GLN . 4.1 tp -37.78 -52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.3 tp60 34.98 47.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' GLN . 39.8 t0 34.45 47.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 m -166.36 144.94 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.7 t -87.32 128.57 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 101' ' ' ALA . 12.6 t80 -73.24 116.91 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 100' ' ' PHE . . . -64.93 145.54 56.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.9 m -69.24 152.9 96.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.86 61.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.86 33.71 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.34 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.8 m -49.41 106.79 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -86.93 179.72 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -149.24 131.87 15.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -135.81 142.26 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.42 108.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -124.84 100.76 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.7 m -44.91 -37.83 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.8 68.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttp -79.59 50.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp -106.99 146.42 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 17' ' ' LYS . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.43 91.27 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -71.44 130.19 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -115.65 130.14 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.9 ptm180 -78.16 -42.35 31.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -51.2 91.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' ARG . 3.9 t30 -48.2 -45.11 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -38.74 150.43 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.57 28.4 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.85 155.04 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.56 61.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t -80.84 -45.06 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -128.03 162.84 25.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.4 m -132.79 95.96 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -100.05 111.75 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -142.84 124.18 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.455 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' C ' HD21 ' A' ' 50' ' ' LEU . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CE2' ' CG2' ' A' ' 86' ' ' THR . 5.0 m-85 -83.28 37.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -50.29 -29.03 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.05 25.27 49.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -47.62 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -101.12 154.65 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.85 -50.71 63.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -70.06 -49.52 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 58' ' ' GLU . 16.3 t30 -34.62 -49.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 65' ' ' ARG . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' O ' ' CD2' ' A' ' 85' ' ' HIS . 64.3 t60 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.573 ' CG2' ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 86' ' ' THR . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.69 63.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.2 tp -57.39 -52.52 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' ASP . 43.3 tt0 -83.32 -50.95 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -37.13 -60.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -129.0 120.49 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.46 -32.11 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -169.56 167.02 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.48 168.93 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 t -87.11 133.0 39.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.675 0.75 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 148.64 65.88 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -175.63 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.28 168.54 25.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' HD2' ' C ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -145.22 152.96 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -117.62 42.04 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 42.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.8 93.17 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -99.15 103.65 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 48.72 43.87 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.36 175.65 30.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -133.65 35.33 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm -75.59 142.72 42.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.443 HG21 ' CD2' ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' LYS . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 45' ' ' HIS . 5.4 mm-40 -104.51 114.23 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -81.54 136.34 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.64 111.86 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -122.38 -43.74 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.626 ' CE1' ' CG1' ' A' ' 38' ' ' VAL . 4.6 p80 -115.91 154.38 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.09 118.46 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.626 ' CG1' ' CE1' ' A' ' 36' ' ' HIS . 18.1 m -128.69 149.97 73.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.57 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.89 142.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.0 63.62 3.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -86.61 -44.9 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -174.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 m -77.16 82.38 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 32' ' ' GLU . 65.1 t60 -90.29 -5.98 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -155.24 127.82 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 55' ' ' PHE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 -93.27 40.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -89.57 3.65 51.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.85 35.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -112.34 148.81 33.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -66.54 159.07 28.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -65.44 -34.62 78.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.64 -57.03 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 -50.2 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 84' ' ' LEU . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.433 ' N ' HG13 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 ' CZ ' ' A' ' 68' ' ' TYR . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' LEU . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.89 39.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -62.81 -48.69 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.963 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -80.73 -54.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -81.97 163.95 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.5 p -136.77 117.99 14.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.36 144.06 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -170.39 153.9 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 175.1 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -68.1 138.59 92.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.75 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.38 60.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -175.99 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.1 p -124.59 -177.13 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -46.71 -56.7 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -149.35 114.29 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -149.7 148.75 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.69 178.79 16.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -144.48 135.3 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -127.11 152.59 47.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.27 115.77 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 mtt -134.58 41.4 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp -103.83 163.53 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 11' ' ' ARG . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -111.12 74.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -108.26 123.34 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.5 m-85 -115.59 109.9 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -113.46 -26.51 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -45.47 -71.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -91.54 -68.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 34' ' ' TYR . 26.0 m -73.17 150.15 89.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.17 28.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.73 56.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.32 46.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -143.64 114.63 7.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 43.83 47.9 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.7 p -95.44 83.27 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -93.69 159.43 15.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -128.62 135.01 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.422 ' CE ' HG22 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG22 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' HG21 ' A' ' 86' ' ' THR . 88.1 m-85 -95.41 42.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.0 t -95.95 111.67 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.56 70.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -174.91 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' ASN . 27.5 mtp180 -82.58 121.31 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' ARG . 58.6 m-85 -36.5 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' ARG . 5.0 mp -79.28 -44.35 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ARG . 64.8 t-20 -39.19 -46.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.468 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 76' ' ' SER . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' N ' HD11 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.553 HG21 ' CE2' ' A' ' 55' ' ' PHE . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.55 55.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.41 -49.31 45.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -52.78 -49.0 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -102.17 103.75 14.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.3 p -78.06 -58.28 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.3 t -113.15 114.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -63.44 -54.33 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 102' ' ' SER . . . 52.77 39.64 29.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 101' ' ' ALA . 31.7 m -34.91 147.66 0.13 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.825 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.81 63.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.59 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.6 p -114.53 171.03 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.22 -50.66 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.74 133.7 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -117.65 92.04 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 58.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -152.97 152.0 30.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -167.09 143.26 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 96.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 44.54 39.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt -80.36 100.09 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' LYS . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.81 128.36 45.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 103.38 12.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 32.3 p90 -133.99 99.74 4.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -117.85 -43.79 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -103.2 151.37 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 55.7 50.52 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.59 151.94 78.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.77 90.85 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.95 111.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 106.78 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 44' ' ' SER . 12.6 pt-20 -123.2 -47.34 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.452 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 36.9 m -150.48 114.31 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -129.23 44.78 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -160.86 136.17 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.539 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 -92.6 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -51.73 -36.25 46.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.75 -19.68 12.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' GLY . 12.3 pt-20 -36.22 -39.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -142.06 139.74 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -70.67 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.68 -35.1 70.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -49.88 -19.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.44 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 71' ' ' LEU . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 80' ' ' HIS . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' N ' HG12 ' A' ' 79' ' ' VAL . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 83' ' ' ALA . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' N ' HD13 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.561 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.525 ' CE3' HD21 ' A' ' 95' ' ' LEU . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.99 68.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.525 HD21 ' CE3' ' A' ' 92' ' ' TRP . 0.1 OUTLIER -50.18 -48.33 54.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -98.09 45.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -131.49 168.22 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.9 p -125.94 113.53 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.57 126.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.33 169.5 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.85 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p -150.44 143.91 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.711 0.767 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.34 50.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.51 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t 50.43 46.99 24.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.04 130.01 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -74.11 85.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -89.57 90.7 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 -138.69 5.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -97.2 74.59 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -147.09 115.05 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -108.33 42.39 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm -63.24 -60.3 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 10' ' ' ILE . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' GLU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.34 53.16 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -64.94 127.28 30.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -53.72 -37.91 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -43.54 -39.53 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -56.55 137.57 53.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -68.28 78.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -125.08 147.86 58.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.97 2.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.13 95.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.3 -107.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 m 54.23 47.02 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -116.51 139.9 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 69.0 p 34.47 43.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -110.95 90.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -147.21 135.17 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.531 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 -90.43 39.78 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ASP . 12.1 t -93.29 -45.59 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -140.04 36.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.27 174.82 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -86.1 -38.48 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.5 mt -88.12 -49.61 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -44.71 -48.46 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 84' ' ' LEU . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.436 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.428 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.417 HD12 ' CG2' ' A' ' 67' ' ' ILE . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.68 61.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.84 -46.23 85.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -54.21 -47.85 71.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -141.76 147.35 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.7 p -132.13 121.3 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.27 150.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.24 151.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.64 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -164.87 128.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 149.03 65.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.88 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.05 172.25 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -123.86 148.58 46.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.483 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -67.29 167.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -124.85 -46.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.45 -105.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 76.1 p 36.14 44.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -104.85 124.13 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 162.93 35.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -106.81 80.83 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt -98.07 176.25 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -107.07 78.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -118.97 36.41 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -91.41 163.74 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -21.93 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -95.58 -43.3 8.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -76.47 -49.01 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -123.29 149.39 57.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.16 169.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.05 66.07 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 1.2 t -82.11 95.93 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.821 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 45' ' ' HIS . 10.3 pt-20 45.76 38.78 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -55.73 81.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.9 m80 -42.03 151.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD2' HG21 ' A' ' 79' ' ' VAL . 3.5 t80 -118.46 149.61 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -91.6 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -76.35 50.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.72 36.41 37.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ARG . 13.6 mt-10 -75.85 -174.92 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' GLU . 11.0 mpt_? -35.09 124.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -43.83 -34.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.9 mt -76.96 -49.7 14.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -39.38 -28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 79' ' ' VAL . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 HG21 ' CD2' ' A' ' 46' ' ' PHE . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' CD2' HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 HD21 ' CD2' ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.412 ' O ' ' CG ' ' A' ' 93' ' ' GLU . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.17 59.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -62.39 -50.96 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.948 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -94.5 -39.56 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.95 159.57 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -148.24 108.94 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.45 145.97 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -135.99 156.52 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.25 150.95 41.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.2 p -138.79 143.95 39.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.688 0.756 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.09 64.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 122.68 9.36 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' ARG . 26.6 p -91.25 170.69 9.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' CYS . 58.1 ttm-85 -34.73 -54.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -149.65 174.7 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -134.41 124.28 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.63 41.33 2.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -149.14 149.68 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -47.88 152.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.32 66.1 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 ttp -99.81 80.58 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm -90.09 90.2 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' SER . 10.4 mm-40 -129.24 79.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 43.8 p -35.77 134.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -112.99 47.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -83.82 34.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 6.1 p80 -104.56 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 75.8 m-20 58.97 54.9 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.06 151.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.23 154.68 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.17 13.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 p -90.09 93.19 9.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.39 -60.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -121.15 102.86 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -117.62 149.55 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -157.92 142.99 16.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.552 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' PHE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 -90.45 37.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 5.6 t -62.88 -27.25 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 30.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.48 163.78 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -78.29 160.65 27.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -54.63 -42.65 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.33 -48.58 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -51.24 -36.26 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.455 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 82' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 75' ' ' LEU . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.61 ' CD2' ' OE2' ' A' ' 91' ' ' GLU . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.23 63.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.5 tp -41.69 -49.18 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -59.94 -51.37 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t0 51.89 42.55 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.4 p -64.24 -44.69 91.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.7 m -52.38 134.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.24 -49.42 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 144.2 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -162.79 145.19 8.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.661 0.743 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.42 64.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 19.3 p -142.49 172.75 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 59.2 ttp180 -154.4 159.3 41.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.432 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 p 43.71 42.22 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -48.83 141.74 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -146.57 6.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -128.12 142.58 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -157.03 177.12 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -118.3 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtm -95.04 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp -112.28 80.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 11' ' ' ARG . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' LYS . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' CB ' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' N ' HG21 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.407 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -129.74 95.5 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -100.31 120.17 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -107.5 87.16 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' HIS . 77.3 mtm-85 -68.35 -51.4 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' ARG . 15.9 m170 -34.9 125.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.23 101.49 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.28 150.39 44.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 101.03 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 42.18 42.88 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.12 -93.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.4 m -115.25 98.03 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.97 -55.62 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -165.72 119.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -117.14 110.71 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -132.58 141.71 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.516 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 -87.06 39.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.3 t -41.81 -30.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.3 -22.71 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.9 pt-20 -37.91 -50.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 58' ' ' GLU . 25.4 mtp180 -137.05 126.55 25.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -67.46 -41.17 85.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 59' ' ' ARG . 59.4 m-20 -40.13 -40.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.509 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' CG ' ' O ' ' A' ' 71' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 88' ' ' THR . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.25 49.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -50.38 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.57 -47.97 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.03 122.25 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.7 p -61.76 -48.91 78.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.44 100.27 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -88.02 112.93 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.84 145.41 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m -163.96 152.65 11.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 113.32 3.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.1 p -126.25 120.47 30.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -88.2 -46.22 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -140.22 132.65 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -96.47 -58.15 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.95 90.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.32 135.09 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -174.88 172.68 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 177.73 21.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 39.46 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm -73.12 160.03 32.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' C ' HG22 ' A' ' 29' ' ' VAL . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG23 ' CG ' ' A' ' 15' ' ' GLU . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG23 ' NZ ' ' A' ' 47' ' ' LYS . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -133.55 81.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -129.8 98.15 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 1.6 m-85 -121.38 -38.45 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 4.3 ptp180 -54.91 -20.0 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -41.23 -31.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 47.6 t30 -70.22 69.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 37' ' ' ASN . 26.9 m -160.22 152.25 16.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.724 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.9 Cg_endo -69.78 -165.74 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.82 123.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.34 108.02 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.438 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 10.1 t -175.16 145.38 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -115.47 171.39 7.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -135.92 111.07 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.09 153.63 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -158.55 135.79 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' HG23 ' A' ' 30' ' ' VAL . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 50' ' ' LEU . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 27' ' ' LEU . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 -88.49 39.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -102.43 120.84 41.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 79.12 -62.58 3.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLY . 17.2 pt-20 -35.31 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -56.25 174.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -90.58 -53.43 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tt -42.12 -49.64 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 -66.02 -51.77 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 75' ' ' LEU . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.541 HG23 ' CE2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -171.58 66.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' GLY . 7.6 tt -34.71 -48.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -75.0 -51.87 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.8 t0 53.41 43.26 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.8 m -62.78 -46.98 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.27 139.47 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -108.51 164.23 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -171.6 136.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 m -147.3 108.62 3.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 126.22 13.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.43 42.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.15 161.51 31.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -142.43 177.11 8.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 63.28 42.16 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -128.88 145.1 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.65 165.81 28.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -160.73 177.47 10.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.8 169.53 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 -173.03 48.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -123.43 88.85 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt -99.09 118.51 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' LYS . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG23 ' CD ' ' A' ' 15' ' ' GLU . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' HZ1' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -133.91 104.55 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -147.29 126.13 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -90.24 117.61 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -66.34 -42.27 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -42.35 148.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -84.7 45.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -157.45 148.66 16.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.23 42.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.89 -15.86 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -68.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.3 p -110.97 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.3 -45.63 92.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -101.88 86.89 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -125.05 80.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -102.65 139.49 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HZ1' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.528 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.456 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -46.21 141.41 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.14 -56.59 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -40.88 154.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -69.61 167.19 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' ARG . 50.0 m-85 -75.6 -46.24 32.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 60.2 mt -50.21 -70.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 -43.96 -36.81 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 61' ' ' LEU . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' CD ' ' CD2' ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 53' ' ' ASP . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.07 56.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.56 -46.87 28.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -42.3 -53.48 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -42.03 160.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 99' ' ' VAL . 12.2 t -120.73 -51.56 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 HG22 ' N ' ' A' ' 100' ' ' PHE . 6.8 p -44.6 137.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.471 ' N ' HG22 ' A' ' 99' ' ' VAL . 24.7 m-85 -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.01 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m -65.33 144.05 98.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.18 7.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 107.78 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 18.0 p -155.5 172.32 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 41.6 ttp180 -56.07 157.56 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -97.06 171.35 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -58.76 146.91 35.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 126.3 24.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -60.7 142.58 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -84.02 122.88 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.3 131.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -116.01 82.63 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm -101.13 131.06 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 17' ' ' LYS . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 15' ' ' GLU . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 1.4 pm0 -111.54 126.58 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.7 p -114.5 40.18 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 72.8 m-85 -71.53 122.58 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -102.9 -47.17 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CD2' ' N ' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -65.89 139.67 58.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -81.45 91.66 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.09 147.52 29.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.74 2.294 . . . . 0.0 112.311 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.59 -177.22 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.87 66.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.2 p -144.74 123.22 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.09 -43.48 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -133.64 109.16 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -55.11 -14.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -127.95 125.5 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 -93.14 40.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.4 t -105.74 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.59 -31.29 0.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -52.91 178.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -97.26 -178.42 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -83.61 -35.91 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.08 -50.67 31.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 -61.65 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' CD2' HG22 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.43 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.54 68.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' GLN . 7.9 tp -63.56 -50.05 71.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' LEU . 39.4 tt0 -37.68 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -164.83 168.43 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.2 p -120.92 109.92 15.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.95 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -123.7 100.3 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -78.4 136.47 60.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.687 0.755 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 130.03 18.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.76 123.56 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -80.78 -49.24 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.719 0.295 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 71' ' ' LEU . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 HG22 ' A' ' 48' ' ' VAL . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HG13 ' A' ' 29' ' ' VAL . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HE3' ' A' ' 47' ' ' LYS . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 68.5 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 14' ' ' ILE . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.436 HG23 HG23 ' A' ' 79' ' ' VAL . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 78' ' ' THR . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 46' ' ' PHE . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 71' ' ' LEU . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 18' ' ' LEU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG3' HD11 ' A' ' 50' ' ' LEU . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 26' ' ' PHE . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 HG22 ' A' ' 48' ' ' VAL . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG13 ' A' ' 29' ' ' VAL . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.727 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 15.1 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 14' ' ' ILE . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 75' ' ' LEU . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 HG23 ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.586 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.897 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.81 HG23 HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 25' ' ' VAL . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG13 HG22 ' A' ' 48' ' ' VAL . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 1.087 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.92 0.391 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 49' ' ' VAL . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 29' ' ' VAL . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 50' ' ' LEU . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 3.8 m80 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.521 ' CG2' HD13 ' A' ' 84' ' ' LEU . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.707 ' CE1' HD11 ' A' ' 84' ' ' LEU . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD21 HG23 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.087 HD13 ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HG2' HG11 ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.591 ' HA ' HD21 ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.773 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG23 ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 46' ' ' PHE . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 55' ' ' PHE . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.047 HG23 HD22 ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 15' ' ' GLU . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 47' ' ' LYS . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.919 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 30' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.015 HG23 HD11 ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 87' ' ' TYR . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 89' ' ' ILE . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.047 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.505 ' N ' HG23 ' A' ' 78' ' ' THR . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.015 HD11 HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' O ' HG13 ' A' ' 51' ' ' VAL . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 53' ' ' ASP . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.7 0.285 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CD1' HG22 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.644 ' CD ' HG23 ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.644 HG23 ' CD ' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.552 HG23 HD11 ' A' ' 82' ' ' LEU . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 24' ' ' PRO . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB2' HD13 ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' ARG . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 HG13 ' A' ' 10' ' ' ILE . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 48' ' ' VAL . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.698 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 78' ' ' THR . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 48' ' ' VAL . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 29' ' ' VAL . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 50' ' ' LEU . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 55' ' ' PHE . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' OE2' ' A' ' 74' ' ' GLU . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' OE2' HD23 ' A' ' 71' ' ' LEU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 10' ' ' ILE . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 83' ' ' ALA . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.583 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 71' ' ' LEU . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 29' ' ' VAL . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.536 HG23 ' CD ' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' NZ ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 29' ' ' VAL . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 75' ' ' LEU . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 71' ' ' LEU . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 46' ' ' PHE . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.584 ' CD1' HG21 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 71' ' ' LEU . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 18' ' ' LEU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HD3' HD22 ' A' ' 27' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HD3' ' A' ' 19' ' ' ARG . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 48' ' ' VAL . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.6 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.961 0.41 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HE3' HG23 ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 82' ' ' LEU . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 50' ' ' LEU . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 84' ' ' LEU . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD13 HG23 ' A' ' 14' ' ' ILE . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 HD22 ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.584 HG21 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 67' ' ' ILE . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 50' ' ' LEU . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.757 HG23 HD11 ' A' ' 71' ' ' LEU . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' PHE . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 15' ' ' GLU . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 85' ' ' HIS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 ' H ' HG22 ' A' ' 86' ' ' THR . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 87' ' ' TYR . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.888 ' CE2' HG21 ' A' ' 86' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 63' ' ' ARG . 16.3 t30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 65' ' ' ARG . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 HG23 ' A' ' 14' ' ' ILE . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.548 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 t-80 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.888 HG21 ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.736 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 71' ' ' LEU . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 48' ' ' VAL . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.783 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.8 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 29' ' ' VAL . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.571 ' HB2' HD13 ' A' ' 89' ' ' ILE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.758 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' N ' HG12 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.783 HD13 ' CD2' ' A' ' 46' ' ' PHE . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG21 ' CG2' ' A' ' 79' ' ' VAL . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 14' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.853 HG23 HD11 ' A' ' 71' ' ' LEU . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CE ' HG23 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.479 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 84' ' ' LEU . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 14' ' ' ILE . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 10' ' ' ILE . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 67' ' ' ILE . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' CB ' HG11 ' A' ' 29' ' ' VAL . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 71' ' ' LEU . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 48' ' ' VAL . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.734 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.7 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 29' ' ' VAL . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.734 HD13 ' HD2' ' A' ' 46' ' ' PHE . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.718 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 64' ' ' HIS . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.696 ' O ' HG13 ' A' ' 51' ' ' VAL . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG23 HD22 ' A' ' 71' ' ' LEU . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 26' ' ' PHE . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 48' ' ' VAL . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.781 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 29' ' ' VAL . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 50' ' ' LEU . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.509 HD22 HG23 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' CD2' ' A' ' 46' ' ' PHE . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 50' ' ' LEU . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 3.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 27' ' ' LEU . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' PHE . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 48' ' ' VAL . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 29' ' ' VAL . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' HD13 ' A' ' 89' ' ' ILE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' CD1' ' A' ' 55' ' ' PHE . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.597 ' N ' HG23 ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.777 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.883 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 HG21 ' A' ' 78' ' ' THR . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HG23 ' A' ' 29' ' ' VAL . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD23 ' OE1' ' A' ' 15' ' ' GLU . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG23 ' OE2' ' A' ' 15' ' ' GLU . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HE3' HG23 ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.68 HG22 HG13 ' A' ' 29' ' ' VAL . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.604 HG23 ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 87' ' ' TYR . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HG13 ' A' ' 10' ' ' ILE . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.735 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 51' ' ' VAL . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 71' ' ' LEU . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 87' ' ' TYR . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.462 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 14' ' ' ILE . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 84' ' ' LEU . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 82' ' ' LEU . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.478 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.416 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 67' ' ' ILE . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 11' ' ' ARG . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' HZ3' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HZ3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 22' ' ' PHE . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD22 ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.998 ' CD ' HD22 ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.849 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 67' ' ' ILE . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.923 HG23 HD22 ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.508 ' CD ' HG23 ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 67' ' ' ILE . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 89' ' ' ILE . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 48' ' ' VAL . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 29' ' ' VAL . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 50' ' ' LEU . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 22' ' ' PHE . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.923 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.532 HD11 HG23 ' A' ' 48' ' ' VAL . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -64.95 136.41 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -52.51 161.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.82 -83.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -142.28 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 172.93 21.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -123.37 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm -74.8 122.37 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 71' ' ' LEU . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 HG22 ' A' ' 48' ' ' VAL . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.65 125.9 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 p -88.67 178.75 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.11 135.55 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 28.4 mtm105 -113.85 -40.71 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.78 152.04 27.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -69.08 -47.16 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -47.77 147.55 3.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.11 9.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.68 110.94 21.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.3 47.0 1.03 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 t -114.37 -60.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.01 156.46 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -128.51 88.38 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -48.91 123.08 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 -154.57 140.09 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HG13 ' A' ' 29' ' ' VAL . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HE3' ' A' ' 47' ' ' LYS . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 68.5 m-85 -89.83 32.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 56' ' ' THR . 9.6 t -67.51 79.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.55 46.36 2.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.45 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -159.1 166.87 30.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -90.7 -33.81 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 56.1 mt -86.51 -39.97 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.19 -21.22 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 14' ' ' ILE . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.436 HG23 HG23 ' A' ' 79' ' ' VAL . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 78' ' ' THR . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 46' ' ' PHE . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.54 56.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 95' ' ' LEU . 6.5 tt -55.33 -61.91 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.13 -63.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.68 141.26 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.8 p -136.48 121.54 18.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.0 t -90.93 134.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -67.05 83.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.53 94.11 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 m -129.68 78.24 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.79 67.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.06 67.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.58 173.06 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -130.97 158.66 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -83.47 42.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -43.93 -43.84 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.5 39.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -157.57 137.6 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.1 160.25 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 110.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mmt -110.21 85.08 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.0 142.92 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 71' ' ' LEU . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 18' ' ' LEU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG3' HD11 ' A' ' 50' ' ' LEU . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 26' ' ' PHE . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 HG22 ' A' ' 48' ' ' VAL . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -106.41 89.55 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 141.02 51.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 141.08 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -69.11 -34.41 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -73.6 113.01 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.63 -58.53 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -41.04 148.8 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.72 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.26 165.42 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.92 75.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 m -125.53 99.48 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 61.14 41.72 13.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -111.96 94.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -94.68 160.47 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -127.4 131.79 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG13 ' A' ' 29' ' ' VAL . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.727 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 15.1 m-85 -89.68 37.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.4 t -39.68 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.4 66.91 1.72 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -99.55 -72.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.31 178.91 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -89.34 -34.22 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.58 -41.13 15.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -41.44 -35.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 14' ' ' ILE . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 75' ' ' LEU . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 HG23 ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.586 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.897 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.71 59.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.01 -40.34 60.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 30.0 pt20 -54.55 -45.72 73.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 4.1 m-20 -88.25 123.45 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 99' ' ' VAL . 86.9 m -96.69 -52.51 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 99' ' ' VAL . 33.4 m -34.04 122.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 101' ' ' ALA . 12.8 t80 -111.46 141.09 45.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' CE2' ' A' ' 100' ' ' PHE . . . -70.46 166.05 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -135.69 144.36 48.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.754 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.64 65.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.98 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.4 t -126.78 146.33 50.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -49.22 -62.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -135.74 133.76 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -148.97 173.48 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.59 159.99 28.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -126.24 167.56 15.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -158.32 127.33 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 12' ' ' GLU . . . 131.05 77.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 mmm -82.23 50.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp -64.27 164.29 11.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.81 HG23 HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 25' ' ' VAL . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG13 HG22 ' A' ' 48' ' ' VAL . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.27 74.91 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -71.45 147.45 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 33.7 p90 -132.3 108.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -70.85 -51.69 24.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -84.0 106.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.78 -49.2 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.69 150.0 19.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.09 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.82 -174.93 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.05 60.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.419 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 t -122.59 112.01 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.0 110.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -110.48 88.86 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -123.69 154.11 39.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 1.087 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.3 t80 -102.7 143.11 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 49' ' ' VAL . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 29' ' ' VAL . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 50' ' ' LEU . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -87.36 36.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 t -101.11 131.44 47.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 50.68 54.68 20.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.01 -174.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' CD ' ' H ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -83.76 152.58 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.2 -15.63 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.1 -49.93 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -60.02 -19.96 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 3.8 m80 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.521 ' CG2' HD13 ' A' ' 84' ' ' LEU . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.707 ' CE1' HD11 ' A' ' 84' ' ' LEU . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD21 HG23 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.087 HD13 ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.38 69.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 87' ' ' TYR . 9.6 tp -58.0 -32.78 68.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -111.87 35.32 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.07 177.49 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -165.67 144.28 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.07 138.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -54.43 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.48 172.36 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -97.24 152.42 38.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.11 25.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.78 15.76 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.92 -178.77 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -47.43 157.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -145.91 133.66 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -139.15 157.82 45.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.83 63.5 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -83.97 115.84 22.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -88.24 119.68 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.09 161.07 10.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 mmt -123.07 82.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp -109.43 154.28 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HG2' HG11 ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.591 ' HA ' HD21 ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.53 125.26 54.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -75.28 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.41 128.02 55.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -92.17 -44.24 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 152.94 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -94.53 45.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -152.34 147.32 19.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . . . -80.55 -17.14 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . . . 34.27 46.29 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.5 p -167.1 122.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.95 109.9 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 m -81.4 -39.88 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -124.87 99.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.773 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 -130.35 129.58 43.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG23 ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 -89.76 34.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.536 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.0 t -85.59 -47.08 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.536 ' N ' HG23 ' A' ' 56' ' ' THR . . . -126.1 50.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' C ' ' CD ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -85.88 -175.81 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -114.13 153.5 29.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -42.73 -54.84 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ASN . 4.2 mp -74.84 -59.49 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LEU . 35.1 t30 -35.07 -38.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 46' ' ' PHE . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 55' ' ' PHE . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.37 65.03 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.2 tp -69.98 -46.38 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -102.77 42.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.47 164.32 17.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.7 p -108.65 105.39 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.61 134.69 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -113.64 -46.58 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 132.59 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -137.26 150.6 69.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.12 34.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.46 27.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.1 t -41.62 150.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 1.9 tmm_? -108.59 149.34 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -168.46 107.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -146.07 127.7 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.54 -63.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -103.8 110.29 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -67.9 -37.73 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.83 151.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.28 41.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm -98.05 136.63 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.047 HG23 HD22 ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 15' ' ' GLU . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 47' ' ' LYS . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 19.3 pt-20 -127.4 -174.75 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.7 m -145.65 170.26 16.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -133.8 123.62 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -99.7 -41.33 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.2 157.14 30.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -85.41 28.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.4 m -129.99 148.73 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 102.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.73 141.97 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.97 119.87 4.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -83.72 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 172.76 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.0 m -116.07 100.12 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m-70 -54.73 -14.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.919 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -100.94 124.18 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 30' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.015 HG23 HD11 ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 87' ' ' TYR . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' THR . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 -89.54 -31.72 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 53' ' ' ASP . 10.2 t -80.93 119.94 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.54 -52.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 63' ' ' ARG . 52.9 mm-40 -100.38 -74.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 11.3 tpp180 -168.61 110.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 61' ' ' LEU . 1.4 p90 -37.57 -32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' A' ' 60' ' ' PHE . 4.3 mm? -58.51 -57.02 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.79 -28.46 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.047 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.505 ' N ' HG23 ' A' ' 78' ' ' THR . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.015 HD11 HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' O ' HG13 ' A' ' 51' ' ' VAL . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.404 HG21 ' HB ' ' A' ' 56' ' ' THR . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 53' ' ' ASP . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.93 56.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -62.84 -45.42 92.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -54.31 -47.25 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.95 169.23 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.2 p -127.07 116.33 20.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 101' ' ' ALA . 61.3 t -46.21 134.26 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 7.2 p90 -101.32 37.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.598 ' H ' HG12 ' A' ' 99' ' ' VAL . . . -140.03 121.24 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.8 p -85.24 151.39 56.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.59 69.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.18 99.91 11.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -144.75 163.54 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -173.04 122.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.335 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -156.0 170.11 22.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 128.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -142.24 144.83 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -161.77 165.97 27.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.06 40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 ptt? 39.49 37.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm -76.41 167.42 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CD1' HG22 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.644 ' CD ' HG23 ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.644 HG23 ' CD ' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -119.54 81.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 p -125.31 115.06 19.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.28 -42.51 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 35.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 37' ' ' ASN . 12.6 p-80 -51.8 -48.59 63.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' HIS . 7.1 t-20 -34.38 -53.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -94.38 150.19 37.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.12 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.64 -177.73 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.0 -115.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 p -150.9 129.9 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -96.21 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p 42.0 47.01 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -130.82 94.59 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 -160.16 129.01 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.552 HG23 HD11 ' A' ' 82' ' ' LEU . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 24' ' ' PRO . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB2' HD13 ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 -91.71 41.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -99.65 131.9 45.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 75.33 -58.54 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' GLY . 22.0 mt-10 -34.77 143.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 59' ' ' ARG . 6.6 mmp_? -64.43 -179.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 72.3 m-85 -72.01 -45.56 60.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.6 tt -74.16 -36.39 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -58.62 -35.7 72.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 60' ' ' PHE . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 HG13 ' A' ' 10' ' ' ILE . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 48' ' ' VAL . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.698 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 95' ' ' LEU . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.73 46.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -49.18 -47.38 46.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -78.97 47.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.72 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -166.2 149.81 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -45.62 -22.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -120.89 133.88 55.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.63 -39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.4 p -160.18 149.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.18 69.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.27 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.4 53.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.09 155.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -46.98 -47.8 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.6 p 34.3 43.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.405 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -100.92 126.53 47.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.31 114.19 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -159.26 106.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -104.77 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.43 97.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -157.03 106.61 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp -137.26 178.51 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 78' ' ' THR . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 48' ' ' VAL . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? -127.59 118.25 23.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' TYR . 69.9 m -122.5 -10.82 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 38' ' ' VAL . 24.1 m-85 34.68 47.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 18.5 mtm105 -95.9 -42.07 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 19.4 p80 -82.92 -53.52 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 7.0 t30 -52.66 -50.54 63.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 34' ' ' TYR . 34.8 m -128.2 151.9 76.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.6 Cg_endo -69.77 -172.82 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.619 2.212 . . . . 0.0 112.348 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.53 129.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.48 97.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 p -174.59 143.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -100.83 137.65 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -66.39 83.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -109.63 97.96 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -107.22 139.06 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 29' ' ' VAL . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.662 ' O ' HD23 ' A' ' 50' ' ' LEU . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 -92.28 37.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.7 t -93.44 -21.17 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.26 35.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.67 171.4 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -64.89 150.42 47.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.06 -43.2 86.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' ASN . 7.0 mp -64.02 -61.34 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LEU . 22.8 m-20 -37.11 -45.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' OE2' ' A' ' 74' ' ' GLU . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' OE2' HD23 ' A' ' 71' ' ' LEU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 10' ' ' ILE . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 83' ' ' ALA . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.583 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.65 55.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -67.84 -52.49 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -88.42 40.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -161.83 118.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.3 p -116.05 109.1 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.12 146.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -109.37 161.62 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.99 168.43 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.6 p -153.2 143.1 15.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.9 43.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.67 10.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.59 172.68 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -57.79 176.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -75.23 173.15 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -113.08 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.53 147.1 4.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.59 155.14 14.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -98.14 141.44 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.02 -151.62 5.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mtp 61.53 42.21 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm -103.32 171.01 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 71' ' ' LEU . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 29' ' ' VAL . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.536 HG23 ' CD ' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -96.41 51.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 43.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 34' ' ' TYR . 16.6 p90 -117.5 45.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HA ' ' CG2' ' A' ' 38' ' ' VAL . 15.7 ptm180 -75.83 -42.17 50.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m-70 -37.01 -45.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -67.94 -65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' ARG . 16.7 m -61.65 149.96 82.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ALA . 54.0 Cg_endo -69.69 146.96 62.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -36.36 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.4 -118.99 0.84 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -162.23 124.74 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.19 131.78 54.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -125.54 44.19 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -90.12 90.09 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.4 t80 -125.99 129.0 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' NZ ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 29' ' ' VAL . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -91.0 38.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 56' ' ' THR . 10.8 t -90.99 121.51 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.54 76.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -146.85 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -44.24 164.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -90.14 -41.32 11.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 64' ' ' HIS . 9.1 tp -79.74 -51.67 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -35.82 -34.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' LEU . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' LEU . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 75' ' ' LEU . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 71' ' ' LEU . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 46' ' ' PHE . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . -172.84 72.07 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 95' ' ' LEU . 7.6 tt -78.33 -34.1 48.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.88 38.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -162.14 142.16 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.3 p -139.13 106.91 5.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.38 143.43 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -87.92 148.32 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.26 150.22 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 t -118.88 142.29 31.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.64 43.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' CYS . 53.9 Cg_endo -69.81 141.26 44.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' PRO . 16.8 t 35.08 49.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -170.0 156.88 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -135.66 134.76 39.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -172.46 133.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -140.25 2.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -86.26 82.99 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.41 77.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.98 172.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.523 ' CG ' HD11 ' A' ' 10' ' ' ILE . 9.2 ttm -103.67 80.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm -65.51 103.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' CD1' HG21 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 71' ' ' LEU . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 18' ' ' LEU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HD3' HD22 ' A' ' 27' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HD3' ' A' ' 19' ' ' ARG . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 48' ' ' VAL . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.61 89.37 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -124.46 116.07 21.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -60.66 125.54 24.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.28 -39.53 83.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -44.84 170.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.1 44.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -91.18 147.87 36.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.175 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 176.32 6.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.31 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 162.59 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.92 -85.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -76.56 -5.66 48.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -129.95 96.24 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -173.93 108.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -111.12 114.84 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.6 t80 -112.23 146.96 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HE3' HG23 ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 82' ' ' LEU . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' O ' HD23 ' A' ' 50' ' ' LEU . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 -89.31 38.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -95.59 114.77 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.46 -41.17 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.78 165.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -80.94 146.18 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -49.51 -47.49 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.13 -55.16 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -53.43 -37.08 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 84' ' ' LEU . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD13 HG23 ' A' ' 14' ' ' ILE . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 HD22 ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.584 HG21 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 67' ' ' ILE . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 50' ' ' LEU . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HE2' HD13 ' A' ' 95' ' ' LEU . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . -178.3 58.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' GLN . 4.1 tp -37.78 -52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.3 tp60 34.98 47.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' GLN . 39.8 t0 34.45 47.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 m -166.36 144.94 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.7 t -87.32 128.57 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 101' ' ' ALA . 12.6 t80 -73.24 116.91 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 100' ' ' PHE . . . -64.93 145.54 56.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.9 m -69.24 152.9 96.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.86 61.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.86 33.71 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.34 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.8 m -49.41 106.79 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -86.93 179.72 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -149.24 131.87 15.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -135.81 142.26 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.42 108.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -124.84 100.76 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.7 m -44.91 -37.83 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.8 68.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttp -79.59 50.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp -106.99 146.42 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.757 HG23 HD11 ' A' ' 71' ' ' LEU . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' PHE . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 15' ' ' GLU . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.43 91.27 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -71.44 130.19 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -115.65 130.14 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.9 ptm180 -78.16 -42.35 31.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -51.2 91.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' ARG . 3.9 t30 -48.2 -45.11 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -38.74 150.43 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.57 28.4 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.85 155.04 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.56 61.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t -80.84 -45.06 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -128.03 162.84 25.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.4 m -132.79 95.96 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -100.05 111.75 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -142.84 124.18 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 85' ' ' HIS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' H ' HG22 ' A' ' 86' ' ' THR . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 87' ' ' TYR . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.888 ' CE2' HG21 ' A' ' 86' ' ' THR . 5.0 m-85 -83.28 37.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -50.29 -29.03 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.05 25.27 49.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -47.62 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -101.12 154.65 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.85 -50.71 63.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -70.06 -49.52 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 58' ' ' GLU . 16.3 t30 -34.62 -49.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 61' ' ' LEU . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 HG23 ' A' ' 14' ' ' ILE . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.548 ' O ' HG13 ' A' ' 49' ' ' VAL . 22.6 t-80 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.888 HG21 ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.736 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.69 63.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.2 tp -57.39 -52.52 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' ASP . 43.3 tt0 -83.32 -50.95 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -37.13 -60.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -129.0 120.49 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.46 -32.11 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -169.56 167.02 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.48 168.93 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 t -87.11 133.0 39.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.675 0.75 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 148.64 65.88 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -175.63 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.28 168.54 25.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.22 152.96 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -117.62 42.04 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 42.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.8 93.17 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -99.15 103.65 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 48.72 43.87 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.36 175.65 30.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -133.65 35.33 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm -75.59 142.72 42.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 71' ' ' LEU . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 48' ' ' VAL . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 45' ' ' HIS . 5.4 mm-40 -104.51 114.23 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -81.54 136.34 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.64 111.86 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -122.38 -43.74 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CE1' HG12 ' A' ' 38' ' ' VAL . 4.6 p80 -115.91 154.38 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.09 118.46 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE1' ' A' ' 36' ' ' HIS . 18.1 m -128.69 149.97 73.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.57 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.89 142.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.0 63.62 3.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -86.61 -44.9 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -174.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 m -77.16 82.38 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 32' ' ' GLU . 65.1 t60 -90.29 -5.98 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.783 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.8 t80 -155.24 127.82 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 29' ' ' VAL . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.571 ' HB2' HD13 ' A' ' 89' ' ' ILE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 -93.27 40.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -89.57 3.65 51.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.85 35.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -112.34 148.81 33.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -66.54 159.07 28.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -65.44 -34.62 78.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.64 -57.03 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 -50.2 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.758 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' N ' HG12 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.783 HD13 ' CD2' ' A' ' 46' ' ' PHE . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.759 ' HB3' HD23 ' A' ' 95' ' ' LEU . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.89 39.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.759 HD23 ' HB3' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -62.81 -48.69 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.963 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -80.73 -54.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -81.97 163.95 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.5 p -136.77 117.99 14.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.36 144.06 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -170.39 153.9 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 175.1 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -68.1 138.59 92.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.75 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.38 60.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -175.99 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.1 p -124.59 -177.13 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -46.71 -56.7 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -149.35 114.29 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -149.7 148.75 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.69 178.79 16.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -144.48 135.3 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -127.11 152.59 47.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.27 115.77 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 mtt -134.58 41.4 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp -103.83 163.53 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG21 ' CG2' ' A' ' 79' ' ' VAL . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 14' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.853 HG23 HD11 ' A' ' 71' ' ' LEU . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -111.12 74.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -108.26 123.34 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.5 m-85 -115.59 109.9 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -113.46 -26.51 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -45.47 -71.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -91.54 -68.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 34' ' ' TYR . 26.0 m -73.17 150.15 89.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.17 28.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.73 56.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.32 46.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -143.64 114.63 7.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 43.83 47.9 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.7 p -95.44 83.27 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -93.69 159.43 15.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 t80 -128.62 135.01 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CE ' HG23 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -95.41 42.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 56' ' ' THR . 9.0 t -95.95 111.67 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.56 70.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -174.91 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' ASN . 27.5 mtp180 -82.58 121.31 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' ARG . 58.6 m-85 -36.5 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' ARG . 5.0 mp -79.28 -44.35 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ARG . 64.8 t-20 -39.19 -46.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.479 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 84' ' ' LEU . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 14' ' ' ILE . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 10' ' ' ILE . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 67' ' ' ILE . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.55 55.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.41 -49.31 45.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -52.78 -49.0 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -102.17 103.75 14.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.3 p -78.06 -58.28 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.3 t -113.15 114.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -63.44 -54.33 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 102' ' ' SER . . . 52.77 39.64 29.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 101' ' ' ALA . 31.7 m -34.91 147.66 0.13 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.825 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.81 63.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.59 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.6 p -114.53 171.03 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.22 -50.66 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.74 133.7 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -117.65 92.04 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 58.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -152.97 152.0 30.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -167.09 143.26 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 96.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 44.54 39.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt -80.36 100.09 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' CB ' HG11 ' A' ' 29' ' ' VAL . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 71' ' ' LEU . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 48' ' ' VAL . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.81 128.36 45.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 103.38 12.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 32.3 p90 -133.99 99.74 4.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -117.85 -43.79 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -103.2 151.37 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 55.7 50.52 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.59 151.94 78.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.77 90.85 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.95 111.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 106.78 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 44' ' ' SER . 12.6 pt-20 -123.2 -47.34 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 36.9 m -150.48 114.31 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -129.23 44.78 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.734 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.7 t80 -160.86 136.17 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 29' ' ' VAL . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 -92.6 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -51.73 -36.25 46.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.75 -19.68 12.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' GLY . 12.3 pt-20 -36.22 -39.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -142.06 139.74 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -70.67 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.68 -35.1 70.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -49.88 -19.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.734 HD13 ' HD2' ' A' ' 46' ' ' PHE . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.718 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 64' ' ' HIS . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.696 ' O ' HG13 ' A' ' 51' ' ' VAL . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.647 ' CE3' HD22 ' A' ' 95' ' ' LEU . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.99 68.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.18 -48.33 54.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -98.09 45.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -131.49 168.22 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.9 p -125.94 113.53 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.57 126.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.33 169.5 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.85 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p -150.44 143.91 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.711 0.767 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.34 50.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.51 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t 50.43 46.99 24.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.04 130.01 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -74.11 85.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -89.57 90.7 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 -138.69 5.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -97.2 74.59 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -147.09 115.05 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -108.33 42.39 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm -63.24 -60.3 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG23 HD22 ' A' ' 71' ' ' LEU . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 26' ' ' PHE . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 48' ' ' VAL . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -86.34 53.16 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -64.94 127.28 30.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -53.72 -37.91 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -43.54 -39.53 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -56.55 137.57 53.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -68.28 78.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -125.08 147.86 58.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.97 2.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.13 95.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.3 -107.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 m 54.23 47.02 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -116.51 139.9 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 69.0 p 34.47 43.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -110.95 90.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.781 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -147.21 135.17 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 29' ' ' VAL . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 50' ' ' LEU . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 -90.43 39.78 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 57' ' ' GLY . 12.1 t -93.29 -45.59 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 56' ' ' THR . . . -140.04 36.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.27 174.82 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -86.1 -38.48 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.5 mt -88.12 -49.61 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -44.71 -48.46 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.509 HD22 HG23 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' CD2' ' A' ' 46' ' ' PHE . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.68 61.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.84 -46.23 85.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -54.21 -47.85 71.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -141.76 147.35 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.7 p -132.13 121.3 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.27 150.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.24 151.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.64 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -164.87 128.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 149.03 65.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.88 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.05 172.25 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -123.86 148.58 46.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.486 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -67.29 167.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -124.85 -46.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.45 -105.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 76.1 p 36.14 44.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -104.85 124.13 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 162.93 35.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -106.81 80.83 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt -98.07 176.25 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 50' ' ' LEU . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -107.07 78.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -118.97 36.41 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -91.41 163.74 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -21.93 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -95.58 -43.3 8.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -76.47 -49.01 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -123.29 149.39 57.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.16 169.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.05 66.07 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 1.2 t -82.11 95.93 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.821 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 45' ' ' HIS . 10.3 pt-20 45.76 38.78 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -55.73 81.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.9 m80 -42.03 151.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 3.5 t80 -118.46 149.61 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 27' ' ' LEU . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -91.6 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -76.35 50.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.72 36.41 37.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ARG . 13.6 mt-10 -75.85 -174.92 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' GLU . 11.0 mpt_? -35.09 124.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -43.83 -34.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.9 mt -76.96 -49.7 14.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -39.38 -28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.17 59.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -62.39 -50.96 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.948 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -94.5 -39.56 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.95 159.57 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -148.24 108.94 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.45 145.97 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -135.99 156.52 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.25 150.95 41.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.2 p -138.79 143.95 39.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.688 0.756 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.09 64.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 122.68 9.36 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' ARG . 26.6 p -91.25 170.69 9.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' CYS . 58.1 ttm-85 -34.73 -54.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -149.65 174.7 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -134.41 124.28 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.63 41.33 2.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -149.14 149.68 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -47.88 152.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.32 66.1 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 ttp -99.81 80.58 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm -90.09 90.2 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' PHE . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 48' ' ' VAL . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' SER . 10.4 mm-40 -129.24 79.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 43.8 p -35.77 134.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -112.99 47.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -83.82 34.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 6.1 p80 -104.56 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 75.8 m-20 58.97 54.9 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.06 151.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.23 154.68 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.17 13.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 p -90.09 93.19 9.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.39 -60.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -121.15 102.86 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -117.62 149.55 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 -157.92 142.99 16.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 29' ' ' VAL . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' HD13 ' A' ' 89' ' ' ILE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 -90.45 37.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 5.6 t -62.88 -27.25 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 30.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.48 163.78 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -78.29 160.65 27.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -54.63 -42.65 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.33 -48.58 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -51.24 -36.26 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' CD1' ' A' ' 55' ' ' PHE . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.597 ' N ' HG23 ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.777 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.883 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.23 63.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.5 tp -41.69 -49.18 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -59.94 -51.37 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t0 51.89 42.55 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.4 p -64.24 -44.69 91.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.7 m -52.38 134.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.24 -49.42 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 144.2 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -162.79 145.19 8.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.661 0.743 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.42 64.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 19.3 p -142.49 172.75 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 59.2 ttp180 -154.4 159.3 41.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.446 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 p 43.71 42.22 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -48.83 141.74 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -146.57 6.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -128.12 142.58 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -157.03 177.12 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -118.3 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtm -95.04 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp -112.28 80.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 HG21 ' A' ' 78' ' ' THR . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HG23 ' A' ' 29' ' ' VAL . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD23 ' OE1' ' A' ' 15' ' ' GLU . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG23 ' OE2' ' A' ' 15' ' ' GLU . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -129.74 95.5 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -100.31 120.17 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -107.5 87.16 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' HIS . 77.3 mtm-85 -68.35 -51.4 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' ARG . 15.9 m170 -34.9 125.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.23 101.49 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.28 150.39 44.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 101.03 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 42.18 42.88 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.12 -93.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.4 m -115.25 98.03 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.97 -55.62 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -165.72 119.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -117.14 110.71 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -132.58 141.71 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HE3' HG23 ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.68 HG22 HG13 ' A' ' 29' ' ' VAL . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.604 HG23 ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 87' ' ' TYR . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 -87.06 39.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 58' ' ' GLU . 2.3 t -41.81 -30.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.3 -22.71 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 56' ' ' THR . 11.9 pt-20 -37.91 -50.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 58' ' ' GLU . 25.4 mtp180 -137.05 126.55 25.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -67.46 -41.17 85.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 59' ' ' ARG . 59.4 m-20 -40.13 -40.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HG13 ' A' ' 10' ' ' ILE . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.735 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 51' ' ' VAL . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' HB3' HD23 ' A' ' 95' ' ' LEU . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.25 49.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -76.47 -50.38 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.57 -47.97 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.03 122.25 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.7 p -61.76 -48.91 78.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.44 100.27 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -88.02 112.93 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.84 145.41 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m -163.96 152.65 11.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' PRO . 54.2 Cg_endo -69.78 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 103' ' ' PRO . 53.6 Cg_endo -69.77 113.32 3.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.1 p -126.25 120.47 30.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -88.2 -46.22 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -140.22 132.65 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -96.47 -58.15 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.95 90.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.32 135.09 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -174.88 172.68 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 177.73 21.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 39.46 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm -73.12 160.03 32.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 71' ' ' LEU . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -133.55 81.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -129.8 98.15 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 1.6 m-85 -121.38 -38.45 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 35' ' ' ARG . 4.3 ptp180 -54.91 -20.0 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -41.23 -31.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 47.6 t30 -70.22 69.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 37' ' ' ASN . 26.9 m -160.22 152.25 16.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.724 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.9 Cg_endo -69.78 -165.74 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.82 123.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.34 108.02 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.445 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 10.1 t -175.16 145.38 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -115.47 171.39 7.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -135.92 111.07 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.09 153.63 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -158.55 135.79 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 87' ' ' TYR . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.462 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 -88.49 39.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -102.43 120.84 41.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 79.12 -62.58 3.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLY . 17.2 pt-20 -35.31 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -56.25 174.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -90.58 -53.43 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tt -42.12 -49.64 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 -66.02 -51.77 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 14' ' ' ILE . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 84' ' ' LEU . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 82' ' ' LEU . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.478 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -171.58 66.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 95' ' ' LEU . 7.6 tt -34.71 -48.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -75.0 -51.87 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.8 t0 53.41 43.26 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.8 m -62.78 -46.98 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.27 139.47 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -108.51 164.23 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -171.6 136.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 22.2 m -147.3 108.62 3.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 102' ' ' SER . 53.9 Cg_endo -69.72 126.22 13.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.43 42.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.15 161.51 31.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -142.43 177.11 8.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 63.28 42.16 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -128.88 145.1 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.65 165.81 28.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -160.73 177.47 10.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.8 169.53 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 -173.03 48.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -123.43 88.85 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt -99.09 118.51 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 67' ' ' ILE . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 11' ' ' ARG . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' HZ3' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -133.91 104.55 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -147.29 126.13 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -90.24 117.61 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -66.34 -42.27 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -42.35 148.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' HG13 ' A' ' 38' ' ' VAL . 39.5 m-20 -84.7 45.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 HG13 ' C ' ' A' ' 37' ' ' ASN . 32.6 m -157.45 148.66 16.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.23 42.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.89 -15.86 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -68.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.3 p -110.97 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.3 -45.63 92.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -101.88 86.89 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -125.05 80.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 -102.65 139.49 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HZ3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -46.21 141.41 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.14 -56.59 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -40.88 154.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -69.61 167.19 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' ARG . 50.0 m-85 -75.6 -46.24 32.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 60.2 mt -50.21 -70.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 -43.96 -36.81 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 61' ' ' LEU . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 22' ' ' PHE . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD22 ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.998 ' CD ' HD22 ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.849 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 67' ' ' ILE . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.07 56.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.56 -46.87 28.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -42.3 -53.48 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.733 ' OD1' HG12 ' A' ' 99' ' ' VAL . 3.5 t70 -42.03 160.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 99' ' ' VAL . 12.2 t -120.73 -51.56 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.733 HG12 ' OD1' ' A' ' 97' ' ' ASP . 6.8 p -44.6 137.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.01 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m -65.33 144.05 98.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.18 7.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 107.78 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 18.0 p -155.5 172.32 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 41.6 ttp180 -56.07 157.56 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -97.06 171.35 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -58.76 146.91 35.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 126.3 24.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -60.7 142.58 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -84.02 122.88 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.3 131.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -116.01 82.63 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm -101.13 131.06 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.923 HG23 HD22 ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' CD ' HG23 ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 67' ' ' ILE . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 89' ' ' ILE . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 48' ' ' VAL . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 1.4 pm0 -111.54 126.58 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.7 p -114.5 40.18 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 72.8 m-85 -71.53 122.58 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -102.9 -47.17 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 139.67 58.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -81.45 91.66 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.09 147.52 29.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.74 2.294 . . . . 0.0 112.311 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.59 -177.22 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.87 66.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.2 p -144.74 123.22 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.09 -43.48 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -133.64 109.16 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.11 -14.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.7 t80 -127.95 125.5 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 29' ' ' VAL . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 50' ' ' LEU . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 -93.14 40.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 56' ' ' THR . 11.4 t -105.74 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.59 -31.29 0.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -52.91 178.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -97.26 -178.42 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -83.61 -35.91 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.622 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -71.08 -50.67 31.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 -61.65 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 22' ' ' PHE . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.923 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.532 HD11 HG23 ' A' ' 48' ' ' VAL . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.54 68.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' GLN . 7.9 tp -63.56 -50.05 71.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' LEU . 39.4 tt0 -37.68 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -164.83 168.43 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.2 p -120.92 109.92 15.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.95 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -123.7 100.3 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -78.4 136.47 60.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.687 0.755 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 130.03 18.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.76 123.56 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -80.78 -49.24 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.719 0.295 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 71' ' ' LEU . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 HG22 ' A' ' 48' ' ' VAL . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.922 0.391 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HG13 ' A' ' 29' ' ' VAL . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HE3' ' A' ' 47' ' ' LYS . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 68.5 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 14' ' ' ILE . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.436 HG23 HG23 ' A' ' 79' ' ' VAL . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 78' ' ' THR . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 46' ' ' PHE . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.76 0.314 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 71' ' ' LEU . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 18' ' ' LEU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG3' HD11 ' A' ' 50' ' ' LEU . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 26' ' ' PHE . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 HG22 ' A' ' 48' ' ' VAL . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG13 ' A' ' 29' ' ' VAL . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.727 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 15.1 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 14' ' ' ILE . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 75' ' ' LEU . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 HG23 ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.586 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.897 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.818 0.342 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.81 HG23 HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 25' ' ' VAL . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG13 HG22 ' A' ' 48' ' ' VAL . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 1.087 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.3 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.92 0.391 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 49' ' ' VAL . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 29' ' ' VAL . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 50' ' ' LEU . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 5.6 m-70 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.521 ' CG2' HD13 ' A' ' 84' ' ' LEU . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.707 ' CE1' HD11 ' A' ' 84' ' ' LEU . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD21 HG23 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.087 HD13 ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.777 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HG2' HG11 ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.591 ' HA ' HD21 ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.773 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.889 0.376 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG23 ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 46' ' ' PHE . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 55' ' ' PHE . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.764 0.316 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.047 HG23 HD22 ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 15' ' ' GLU . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 47' ' ' LYS . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.919 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 30' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.015 HG23 HD11 ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 87' ' ' TYR . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.477 ' HB2' HD13 ' A' ' 89' ' ' ILE . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.776 0.322 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.047 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.505 ' N ' HG23 ' A' ' 78' ' ' THR . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.015 HD11 HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.457 ' O ' HG13 ' A' ' 51' ' ' VAL . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 53' ' ' ASP . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.7 0.285 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CD1' HG22 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.644 ' CD ' HG23 ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.644 HG23 ' CD ' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.928 0.394 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.552 HG23 HD11 ' A' ' 82' ' ' LEU . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 24' ' ' PRO . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB2' HD13 ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' ARG . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 HG13 ' A' ' 10' ' ' ILE . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 48' ' ' VAL . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.698 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 78' ' ' THR . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 48' ' ' VAL . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 29' ' ' VAL . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 55' ' ' PHE . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' OE2' ' A' ' 74' ' ' GLU . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' OE2' HD23 ' A' ' 71' ' ' LEU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 10' ' ' ILE . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 83' ' ' ALA . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.583 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 71' ' ' LEU . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 29' ' ' VAL . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.536 HG23 ' CD ' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.4 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' NZ ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 29' ' ' VAL . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.815 0.34 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 75' ' ' LEU . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 71' ' ' LEU . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 46' ' ' PHE . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.584 ' CD1' HG21 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 71' ' ' LEU . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 18' ' ' LEU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HD3' HD22 ' A' ' 27' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HD3' ' A' ' 19' ' ' ARG . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 48' ' ' VAL . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.6 t80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.961 0.41 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HE3' HG23 ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 82' ' ' LEU . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 50' ' ' LEU . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 84' ' ' LEU . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD13 HG23 ' A' ' 14' ' ' ILE . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 HD22 ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.584 HG21 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 67' ' ' ILE . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 50' ' ' LEU . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.785 0.326 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.757 HG23 HD11 ' A' ' 71' ' ' LEU . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' PHE . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 15' ' ' GLU . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.955 0.407 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 85' ' ' HIS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 ' H ' HG22 ' A' ' 86' ' ' THR . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 87' ' ' TYR . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.457 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.888 ' CE2' HG21 ' A' ' 86' ' ' THR . 5.0 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 63' ' ' ARG . 16.3 t30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 65' ' ' ARG . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 HG23 ' A' ' 14' ' ' ILE . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.548 ' O ' HG13 ' A' ' 49' ' ' VAL . 64.3 t60 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.888 HG21 ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.527 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.736 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 71' ' ' LEU . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 48' ' ' VAL . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.783 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.8 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.915 0.388 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 29' ' ' VAL . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.571 ' HB2' HD13 ' A' ' 89' ' ' ILE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.758 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.446 ' N ' HG12 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.783 HD13 ' CD2' ' A' ' 46' ' ' PHE . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG21 ' CG2' ' A' ' 79' ' ' VAL . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 14' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.853 HG23 HD11 ' A' ' 71' ' ' LEU . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 t80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CE ' HG23 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.479 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 84' ' ' LEU . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 14' ' ' ILE . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 10' ' ' ILE . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.628 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 67' ' ' ILE . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.722 0.296 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' CB ' HG11 ' A' ' 29' ' ' VAL . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 71' ' ' LEU . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 48' ' ' VAL . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.734 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.7 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.951 0.405 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 29' ' ' VAL . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.734 HD13 ' HD2' ' A' ' 46' ' ' PHE . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.718 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 64' ' ' HIS . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.696 ' O ' HG13 ' A' ' 51' ' ' VAL . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG23 HD22 ' A' ' 71' ' ' LEU . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 26' ' ' PHE . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 48' ' ' VAL . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.781 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 29' ' ' VAL . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 50' ' ' LEU . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.509 HD22 HG23 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' CD2' ' A' ' 46' ' ' PHE . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.645 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.78 0.324 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 50' ' ' LEU . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 3.5 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.944 0.402 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 27' ' ' LEU . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' PHE . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 48' ' ' VAL . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.921 0.391 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 29' ' ' VAL . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' HD13 ' A' ' 89' ' ' ILE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.803 0.335 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' CD1' ' A' ' 55' ' ' PHE . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.597 ' N ' HG23 ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.777 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.883 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 HG21 ' A' ' 78' ' ' THR . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HG23 ' A' ' 29' ' ' VAL . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD23 ' OE1' ' A' ' 15' ' ' GLU . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.684 HG23 ' OE2' ' A' ' 15' ' ' GLU . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.926 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HE3' HG23 ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.68 HG22 HG13 ' A' ' 29' ' ' VAL . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.604 HG23 ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 87' ' ' TYR . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HG13 ' A' ' 10' ' ' ILE . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.735 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 51' ' ' VAL . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 71' ' ' LEU . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 87' ' ' TYR . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.462 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 14' ' ' ILE . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 84' ' ' LEU . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 82' ' ' LEU . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.478 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.416 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.719 0.295 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 67' ' ' ILE . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 11' ' ' ARG . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' HZ3' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HZ3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.792 0.329 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.458 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 22' ' ' PHE . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.998 HD22 ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.998 ' CD ' HD22 ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.849 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 67' ' ' ILE . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.923 HG23 HD22 ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.508 ' CD ' HG23 ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 67' ' ' ILE . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 89' ' ' ILE . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 48' ' ' VAL . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 29' ' ' VAL . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 50' ' ' LEU . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 22' ' ' PHE . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.923 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.532 HD11 HG23 ' A' ' 48' ' ' VAL . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -64.95 136.41 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -52.51 161.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.82 -83.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -142.28 170.84 14.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.68 172.93 21.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -123.37 38.43 4.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.75 0.309 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.5 mmm -74.8 122.37 23.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -55.09 -51.89 49.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -38.84 -51.99 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -63.16 -60.26 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.3 mtt-85 -42.02 -44.34 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.725 HG23 HD11 ' A' ' 71' ' ' LEU . 86.1 mt -57.86 -63.5 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 25.3 mt-10 -58.86 -59.84 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' GLU . 49.0 mt-10 -35.14 -37.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -75.95 -57.35 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 mt -47.03 -42.28 18.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mtp85 -40.03 -56.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.89 -19.61 23.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -58.25 -53.82 53.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.29 -35.95 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.3 mt-30 69.86 51.45 0.41 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -163.87 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.12 -37.02 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -117.72 151.9 36.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 tp -160.06 129.05 5.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -169.17 124.69 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG13 HG22 ' A' ' 48' ' ' VAL . 97.0 t -113.34 141.41 29.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -111.27 96.34 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -95.43 141.86 28.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.65 125.9 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 p -88.67 178.75 6.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -60.11 135.55 57.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 28.4 mtm105 -113.85 -40.71 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -110.78 152.04 27.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -69.08 -47.16 65.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.7 m -47.77 147.55 3.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.658 0.742 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 123.11 9.79 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.68 110.94 21.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -132.3 47.0 1.03 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.4 t -114.37 -60.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -133.01 156.46 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.2 m -128.51 88.38 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -48.91 123.08 6.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 -154.57 140.09 17.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 14.6 ttpt -145.11 146.32 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HG13 ' A' ' 29' ' ' VAL . 64.8 t -139.87 139.85 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 HG23 ' HE3' ' A' ' 47' ' ' LYS . 65.3 t -114.04 131.91 64.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.3 tt -153.06 107.24 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.64 128.16 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.515 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 10.4 t -156.5 146.78 21.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -34.06 76.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -46.22 -25.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 68.5 m-85 -89.83 32.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 56' ' ' THR . 9.6 t -67.51 79.36 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.55 46.36 2.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.45 -61.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -159.1 166.87 30.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -90.7 -33.81 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.478 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 56.1 mt -86.51 -39.97 15.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -53.19 -21.22 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -70.97 -28.2 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.509 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.0 p80 -91.49 -45.57 8.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 6.8 ptm180 -47.82 -41.79 24.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.449 ' CE ' ' CE1' ' A' ' 55' ' ' PHE . 76.3 mtm -67.5 -51.66 48.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.4 mm -59.87 -61.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.6 m-85 -44.72 -55.18 5.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.2 t -36.71 -45.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.9 m -63.05 -60.96 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD11 HG23 ' A' ' 14' ' ' ILE . 11.3 mt -95.9 36.66 1.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -38.35 -66.94 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' GLU . 25.5 mp0 -91.16 -39.78 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 73' ' ' GLU . 8.8 mm-40 -37.31 -53.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 76' ' ' SER . 3.2 pp -75.65 -41.43 54.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 75' ' ' LEU . 23.0 t -54.09 -22.84 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 98.2 m -49.89 -63.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.436 HG23 HG23 ' A' ' 79' ' ' VAL . 9.0 t -117.64 -35.52 3.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG23 HG23 ' A' ' 78' ' ' THR . 76.6 t -86.12 146.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -123.44 -53.31 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.58 140.95 44.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 46' ' ' PHE . 29.4 tp -146.51 136.72 23.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -93.51 93.32 8.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.16 138.0 45.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -126.73 77.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.456 HG21 ' CE1' ' A' ' 55' ' ' PHE . 56.1 p -85.54 123.03 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -123.64 167.86 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.2 p -107.24 162.67 13.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.9 mp -51.17 -57.25 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 93' ' ' GLU . 39.9 mmtt -53.99 -69.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -36.97 -41.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -69.9 -41.59 74.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 90' ' ' LYS . 20.9 mt-10 -44.62 -31.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.54 56.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 95' ' ' LEU . 6.5 tt -55.33 -61.91 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -82.13 -63.75 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.68 141.26 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 22.8 p -136.48 121.54 18.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.0 t -90.93 134.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -67.05 83.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -111.53 94.11 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.1 m -129.68 78.24 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.834 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.79 67.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.06 67.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.58 173.06 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 mtp180 -130.97 158.66 39.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -83.47 42.3 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -43.93 -43.84 6.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.25 178.5 39.58 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -157.57 137.6 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -136.1 160.25 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.01 110.89 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 mmt -110.21 85.08 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -144.0 142.92 30.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.9 mm -45.28 -54.21 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' NE ' ' HB3' ' A' ' 31' ' ' ASP . 44.3 mtt180 -38.39 -46.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -66.12 -60.29 2.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -42.02 -41.31 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.625 HG23 HD11 ' A' ' 71' ' ' LEU . 90.5 mt -61.62 -61.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 18' ' ' LEU . 18.6 mt-10 -60.39 -58.84 6.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' GLU . 29.4 mt-10 -34.49 -35.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 9.0 mttm -79.49 -54.04 6.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.775 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 10.7 mt -52.38 -48.09 65.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.4 mtp180 -35.06 -51.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.23 -23.64 19.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -57.15 -59.85 4.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.0 m-85 -112.87 -37.58 4.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.2 mt-30 69.78 53.6 0.46 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.704 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.484 ' HG3' HD11 ' A' ' 50' ' ' LEU . 53.8 Cg_endo -69.72 -169.22 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 26' ' ' PHE . 27.0 m -97.55 -40.67 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 25' ' ' VAL . 49.8 t80 -112.18 153.71 26.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -159.22 130.88 6.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -170.14 123.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 HG22 ' A' ' 48' ' ' VAL . 54.3 t -107.05 144.74 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -131.13 93.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CZ ' ' A' ' 46' ' ' PHE . 2.2 t70 -111.66 159.3 18.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -106.41 89.55 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -70.93 141.02 51.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.53 141.08 40.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -69.11 -34.41 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -73.6 113.01 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -42.63 -58.53 2.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.6 m -41.04 148.8 0.37 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 93.72 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -98.26 165.42 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -154.92 75.5 0.22 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.9 m -125.53 99.48 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.331 . . . . 0.0 110.816 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 61.14 41.72 13.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -111.96 94.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -94.68 160.47 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.622 ' CD1' HD13 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -127.4 131.79 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -142.84 137.72 29.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.55 HG22 HG13 ' A' ' 29' ' ' VAL . 31.9 t -127.69 134.43 65.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 68.8 t -107.21 135.03 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.727 HD22 ' CZ ' ' A' ' 55' ' ' PHE . 10.3 tt -157.68 105.85 2.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 87' ' ' TYR . 85.9 t -87.69 123.86 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -166.49 162.23 16.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -86.92 -36.44 18.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -46.21 -21.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.727 ' CZ ' HD22 ' A' ' 50' ' ' LEU . 15.1 m-85 -89.68 37.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.4 t -39.68 159.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -93.4 66.91 1.72 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -99.55 -72.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -113.31 178.91 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -89.34 -34.22 16.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.58 -41.13 15.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -41.44 -35.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 ttm105 -76.02 -45.75 32.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' O ' ' C ' ' A' ' 65' ' ' ARG . 8.1 m-70 -68.32 -60.52 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 66' ' ' MET . 13.4 ptm180 -34.46 -36.88 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.463 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 36.2 mtm -62.67 -55.81 23.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mm -65.29 -56.21 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.9 m-85 -51.06 -60.68 2.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' TYR . 13.0 t -35.48 -43.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.9 m -64.78 -53.48 46.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.625 HD11 HG23 ' A' ' 14' ' ' ILE . 5.1 mt -106.42 40.93 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.15 -65.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 11.7 mm-40 -90.75 -43.07 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 61.6 mm-40 -36.29 -54.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.4 pp -73.78 -41.75 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.545 ' N ' HD12 ' A' ' 75' ' ' LEU . 15.8 t -54.1 -21.6 8.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.8 m -51.14 -62.56 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 HG23 ' A' ' 79' ' ' VAL . 9.1 t -118.92 -42.6 2.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.461 HG23 HG23 ' A' ' 78' ' ' THR . 87.4 t -78.12 123.4 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -93.51 -56.93 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.27 164.86 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.622 HD13 ' CD1' ' A' ' 46' ' ' PHE . 30.4 tp -163.03 136.33 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.06 88.28 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.72 132.1 46.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -132.51 79.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.83 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.586 HG21 ' CE2' ' A' ' 55' ' ' PHE . 70.5 p -100.6 129.14 46.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.897 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.6 m-85 -118.56 136.2 53.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.2 p -72.19 160.01 33.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.7 mp -51.48 -30.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -84.19 -59.26 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -41.18 -35.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.4 -43.39 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.2 mm-40 -41.18 -28.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.71 59.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.01 -40.34 60.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 30.0 pt20 -54.55 -45.72 73.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 96' ' ' GLN . 4.1 m-20 -88.25 123.45 32.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 99' ' ' VAL . 86.9 m -96.69 -52.51 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 99' ' ' VAL . 33.4 m -34.04 122.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 101' ' ' ALA . 12.8 t80 -111.46 141.09 45.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' CE2' ' A' ' 100' ' ' PHE . . . -70.46 166.05 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 m -135.69 144.36 48.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.682 0.754 . . . . 0.0 110.825 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.64 65.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.703 2.268 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.98 1.34 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.342 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.4 t -126.78 146.33 50.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -49.22 -62.78 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -135.74 133.76 38.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -148.97 173.48 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.59 159.99 28.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -126.24 167.56 15.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.844 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -158.32 127.33 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.409 ' O ' ' CD ' ' A' ' 12' ' ' GLU . . . 131.05 77.05 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.5 mmm -82.23 50.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.751 0.31 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.3 mtp -64.27 164.29 11.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.8 mm -39.63 -48.04 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 29' ' ' VAL . 18.2 ttm180 -48.79 -56.13 9.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 40.9 mt-10 -57.06 -47.2 81.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -54.17 -49.28 69.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.81 HG23 HD21 ' A' ' 71' ' ' LEU . 77.3 mt -59.51 -73.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 47.6 mt-10 -45.57 -52.31 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.4 mm-40 -34.86 -43.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' LEU . 43.9 mttm -73.78 -68.27 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 26.5 mt -35.48 -46.26 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -39.06 -58.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.45 -17.19 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -62.94 -59.44 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -112.69 -37.13 4.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.2 mt-30 71.44 52.16 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -172.46 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.64 2.226 . . . . 0.0 112.336 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.7 p -97.51 -39.98 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 25' ' ' VAL . 15.9 t80 -111.8 145.64 39.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tp -153.89 126.08 7.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -165.08 125.74 1.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG13 HG22 ' A' ' 48' ' ' VAL . 60.7 t -121.32 128.59 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.2 t -97.72 108.81 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.23 150.19 24.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -94.27 74.91 3.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -71.45 147.45 47.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 33.7 p90 -132.3 108.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 -70.85 -51.69 24.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -84.0 106.51 15.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.78 -49.2 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -54.69 150.0 19.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.65 0.738 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 92.09 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.82 -174.93 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.05 60.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.419 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.2 t -122.59 112.01 17.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -47.0 110.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -110.48 88.86 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 46' ' ' PHE . 46.3 t-80 -123.69 154.11 39.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 1.087 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.3 t80 -102.7 143.11 32.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 49' ' ' VAL . 3.6 tmmm? -156.06 136.31 13.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 29' ' ' VAL . 54.7 t -123.68 133.85 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 69.1 t -113.52 125.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 50' ' ' LEU . 6.7 tt -143.09 112.81 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 88.8 t -99.41 134.09 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -162.48 145.76 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -74.02 -28.37 61.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -44.81 -24.77 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -87.36 36.06 0.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 t -101.11 131.44 47.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 50.68 54.68 20.47 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.01 -174.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -83.76 152.58 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -86.2 -15.63 40.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.1 mp -81.1 -49.93 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -60.02 -19.96 55.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -40.27 -64.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 5.6 m-70 -69.87 -42.58 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' HIS . 23.3 mtp180 -34.33 -71.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -51.07 25.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.521 ' CG2' HD13 ' A' ' 84' ' ' LEU . 5.0 mm -54.03 -70.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.707 ' CE1' HD11 ' A' ' 84' ' ' LEU . 16.6 m-85 -45.85 -38.17 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 t -55.46 -47.03 76.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.3 m -53.46 -53.96 43.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD21 HG23 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -103.01 37.38 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.68 -60.35 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' SER . 6.1 mm-40 -85.8 -46.85 10.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -42.93 -49.43 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 pp -68.31 -25.38 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' GLU . 2.6 t -83.17 19.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 46.9 m -89.8 -62.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 t -127.21 -32.13 2.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.26 134.67 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.205 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -108.42 -51.15 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.64 126.12 49.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.087 HD13 ' CD2' ' A' ' 46' ' ' PHE . 23.6 tp -138.74 130.74 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -93.42 106.21 18.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' CE1' ' A' ' 68' ' ' TYR . 29.8 mt -84.3 121.14 27.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -113.85 98.15 6.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.1 p -100.58 121.01 40.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.119 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.433 ' HE2' HD13 ' A' ' 95' ' ' LEU . 12.0 m-85 -133.76 167.47 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.8 p -105.26 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.78 -25.23 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 32.8 tptt -92.0 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 3.4 mm-40 -37.35 -42.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.3 t-105 -74.31 -48.28 29.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -39.75 -30.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.827 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.38 69.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 HD13 ' HE2' ' A' ' 87' ' ' TYR . 9.6 tp -58.0 -32.78 68.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -111.87 35.32 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.07 177.49 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -165.67 144.28 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.07 138.39 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -54.43 -176.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.48 172.36 6.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.0 p -97.24 152.42 38.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.689 0.757 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 167.11 25.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.78 15.76 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.658 2.239 . . . . 0.0 112.365 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.92 -178.77 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.9 mtt85 -47.43 157.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.528 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -145.91 133.66 21.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -139.15 157.82 45.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.83 63.5 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.2 m -83.97 115.84 22.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -88.24 119.68 28.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.09 161.07 10.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 mmt -123.07 82.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.6 mtp -109.43 154.28 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 11' ' ' ARG . 2.8 mp -70.02 -48.28 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' HG2' HG11 ' A' ' 29' ' ' VAL . 2.9 tmm_? -35.29 -56.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.82 -43.64 97.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 -58.46 -39.94 81.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.591 ' HA ' HD21 ' A' ' 71' ' ' LEU . 15.6 mt -59.44 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.0 -52.28 35.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -43.11 -38.72 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -75.77 -58.82 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 29.5 mt -45.78 -34.64 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -46.45 -52.38 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.92 -28.62 17.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.54 -61.04 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 67' ' ' ILE . 99.6 m-85 -108.12 -43.78 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 11.4 mt-30 74.93 51.41 0.22 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.8 Cg_endo -69.77 -174.11 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.325 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -96.24 -29.11 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -122.9 149.59 44.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.36 127.46 6.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -167.43 114.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 48' ' ' VAL . 69.1 t -107.73 140.27 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.8 t -110.05 100.62 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.97 149.08 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -113.53 125.26 54.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -75.28 168.63 19.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -110.41 128.02 55.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -92.17 -44.24 8.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.53 152.94 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -94.53 45.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.3 m -152.34 147.32 19.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 0.0 111.145 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 103.35 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' GLY . . . -80.55 -17.14 52.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' ALA . . . 34.27 46.29 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.5 p -167.1 122.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.831 0.348 . . . . 0.0 110.873 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.95 109.9 12.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 m -81.4 -39.88 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -124.87 99.08 5.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.773 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.7 t80 -130.35 129.58 43.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HE3' HG23 ' A' ' 49' ' ' VAL . 13.7 ttpt -144.04 144.89 31.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.798 HG22 HG22 ' A' ' 29' ' ' VAL . 55.6 t -135.99 132.12 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG23 ' HE3' ' A' ' 47' ' ' LYS . 43.0 t -105.28 114.86 45.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 tt -133.03 108.23 8.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.28 120.39 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.9 t -159.39 135.7 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -62.01 -35.22 77.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -40.63 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' ASP . 68.5 m-85 -89.76 34.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.536 HG23 ' N ' ' A' ' 57' ' ' GLY . 11.0 t -85.59 -47.08 10.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.536 ' N ' HG23 ' A' ' 56' ' ' THR . . . -126.1 50.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.457 ' CD ' ' C ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -85.88 -175.81 5.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.887 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -114.13 153.5 29.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -42.73 -54.84 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' ASN . 4.2 mp -74.84 -59.49 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 61' ' ' LEU . 35.1 t30 -35.07 -38.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -39.77 -54.15 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' ARG . 9.3 m170 -80.82 -52.21 7.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' HIS . 73.4 mtp85 -34.9 -47.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 35.2 mtm -54.61 -55.74 26.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 22' ' ' PHE . 37.0 mm -68.51 -63.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' O ' ' N ' ' A' ' 72' ' ' ALA . 6.3 m-85 -41.97 -50.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 t -42.21 -45.64 4.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.4 m -58.56 -57.98 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD21 ' HA ' ' A' ' 14' ' ' ILE . 1.1 mp -102.6 37.92 1.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.39 -65.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.068 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 74' ' ' GLU . 16.3 mm-40 -86.32 -46.29 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 73' ' ' GLU . 71.0 mm-40 -36.35 -56.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 pp -69.76 -39.85 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -48.69 -34.93 12.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.2 m -37.08 -67.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -120.26 -27.49 5.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.63 138.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -123.85 -51.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.8 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.18 148.01 42.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD13 ' CD2' ' A' ' 46' ' ' PHE . 16.0 tp -153.65 146.71 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.474 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.45 91.47 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.17 113.57 11.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -106.16 79.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.445 HG21 ' CE2' ' A' ' 55' ' ' PHE . 61.1 p -85.83 124.95 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -123.33 154.16 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.8 p -97.05 140.66 31.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -39.79 -37.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -62.86 -51.36 67.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -57.53 -54.74 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.72 -45.19 92.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -38.13 -41.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.37 65.03 0.3 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.2 tp -69.98 -46.38 65.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -102.77 42.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -121.47 164.32 17.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 77.7 p -108.65 105.39 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.61 134.69 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -113.64 -46.58 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.5 132.59 47.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 p -137.26 150.6 69.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.12 34.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 166.46 27.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.662 2.241 . . . . 0.0 112.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.1 t -41.62 150.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 1.9 tmm_? -108.59 149.34 29.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.476 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -168.46 107.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -146.07 127.7 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.54 -63.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -103.8 110.29 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -67.9 -37.73 82.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.83 151.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 mmt -90.28 41.46 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mmm -98.05 136.63 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 12' ' ' GLU . 24.3 mm -62.73 -60.09 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 10' ' ' ILE . 67.7 mtp180 -34.12 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 10' ' ' ILE . 45.3 mt-10 -74.39 -58.62 3.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -49.94 -27.29 5.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.047 HG23 HD22 ' A' ' 71' ' ' LEU . 81.2 mt -87.24 -61.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.4 mt-10 -54.0 -52.03 62.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.2 mm-40 -33.85 -47.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 9.7 mptt -69.37 -49.03 59.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 15' ' ' GLU . 12.0 mt -61.4 -21.2 63.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -64.1 -65.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.09 -31.05 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' LYS . . . -47.27 -56.72 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 59.8 m-85 -117.76 -45.13 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.428 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 28.9 mt-30 74.93 54.96 0.24 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.8 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.322 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 26' ' ' PHE . 10.8 p -92.44 -39.35 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' N ' HG13 ' A' ' 25' ' ' VAL . 11.1 t80 -116.52 154.91 29.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -160.86 131.21 5.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -168.13 152.12 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.1 t -141.79 135.75 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG21 ' HE2' ' A' ' 47' ' ' LYS . 13.7 t -96.67 104.04 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.84 156.04 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' CB ' ' A' ' 45' ' ' HIS . 19.3 pt-20 -127.4 -174.75 3.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.7 m -145.65 170.26 16.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -133.8 123.62 25.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -99.7 -41.33 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.2 157.14 30.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -85.41 28.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.4 m -129.99 148.73 70.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 102.11 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.73 141.97 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 105.97 119.87 4.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -83.72 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.81 172.76 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.0 m -116.07 100.12 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.445 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m-70 -54.73 -14.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.919 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.0 t80 -100.94 124.18 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.489 ' HE2' HG21 ' A' ' 30' ' ' VAL . 19.3 ttpt -140.25 157.71 45.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.015 HG23 HD11 ' A' ' 82' ' ' LEU . 74.9 t -136.27 125.28 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.0 t -111.77 123.25 67.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.5 tt -143.16 107.9 4.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 87' ' ' TYR . 60.9 t -87.83 137.64 20.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.8 t -165.58 142.11 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' THR . 16.3 t70 -95.49 -15.46 22.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.18 2.47 10.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 7.0 m-85 -89.54 -31.72 17.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.823 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 53' ' ' ASP . 10.2 t -80.93 119.94 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 165.54 -52.2 0.27 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HG2' ' NH2' ' A' ' 63' ' ' ARG . 52.9 mm-40 -100.38 -74.79 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 11.3 tpp180 -168.61 110.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.535 ' CD2' HD22 ' A' ' 61' ' ' LEU . 1.4 p90 -37.57 -32.1 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.535 HD22 ' CD2' ' A' ' 60' ' ' PHE . 4.3 mm? -58.51 -57.02 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -59.79 -28.46 67.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' PHE . 24.1 mmt180 -67.83 -58.83 3.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -46.94 -47.81 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -42.01 -53.62 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.7 mtm -49.08 -57.34 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.7 mm -39.14 -48.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 8.5 m-85 -60.04 -56.04 26.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 t -52.09 -41.3 62.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -49.39 -44.42 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.047 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -132.47 39.83 3.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -61.0 -35.39 76.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -84.55 -46.91 11.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.77 -45.17 63.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.0 pp -70.46 -22.49 62.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.4 m -89.68 19.17 4.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.0 m -96.68 -58.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 79' ' ' VAL . 8.9 t -124.15 -46.86 1.92 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.505 ' N ' HG23 ' A' ' 78' ' ' THR . 78.9 t -66.39 147.22 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -109.29 -64.51 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.37 151.62 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.015 HD11 HG23 ' A' ' 48' ' ' VAL . 61.0 tp -157.99 146.24 18.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.38 121.76 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.4 mt -94.21 122.21 36.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -120.59 83.73 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.2 p -95.13 103.01 14.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.457 ' O ' HG13 ' A' ' 51' ' ' VAL . 35.7 m-85 -110.55 140.42 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.404 HG21 ' HB ' ' A' ' 56' ' ' THR . 69.8 p -78.1 155.28 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 53' ' ' ASP . 1.8 mp -50.07 -34.16 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -72.88 -69.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -36.15 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.6 t-105 -74.98 -48.19 25.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 92' ' ' TRP . 3.8 mm-40 -37.22 -37.75 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -155.93 56.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.485 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -62.84 -45.42 92.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -54.31 -47.25 72.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.95 169.23 12.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 62.2 p -127.07 116.33 20.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 101' ' ' ALA . 61.3 t -46.21 134.26 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' A' ' 100' ' ' PHE . 7.2 p90 -101.32 37.42 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.598 ' H ' HG12 ' A' ' 99' ' ' VAL . . . -140.03 121.24 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.8 p -85.24 151.39 56.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 151.59 69.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.6 t -97.18 99.91 11.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -144.75 163.54 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -173.04 122.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.335 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -156.0 170.11 22.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.15 128.77 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -142.24 144.83 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.382 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -161.77 165.97 27.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.06 40.26 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.552 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 ptt? 39.49 37.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.339 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmm -76.41 167.42 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG22 ' CD1' ' A' ' 14' ' ' ILE . 43.7 mm -78.39 -46.92 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -47.72 -38.0 14.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -60.85 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -55.58 -41.12 72.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.513 ' CD1' HG22 ' A' ' 10' ' ' ILE . 76.7 mt -58.15 -66.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.644 ' CD ' HG23 ' A' ' 29' ' ' VAL . 37.6 mt-10 -58.71 -53.07 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 18.8 mt-10 -34.02 -38.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -78.28 -60.66 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 23.8 mt -42.76 -29.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -52.05 -56.24 15.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.09 -31.3 17.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.548 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -48.81 -56.33 8.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -112.86 -46.6 3.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 3.8 mt-30 74.98 53.49 0.24 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 0.0 110.952 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.74 -170.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.378 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -98.63 -19.42 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -134.68 152.73 51.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -160.12 137.18 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -172.05 144.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.644 HG23 ' CD ' ' A' ' 15' ' ' GLU . 32.7 t -128.32 140.21 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.9 t -118.67 102.3 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 46' ' ' PHE . 2.9 m-20 -80.85 134.61 35.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -119.54 81.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.2 p -125.31 115.06 19.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -87.28 -42.51 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.82 35.1 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 37' ' ' ASN . 2.8 p80 -51.8 -48.59 63.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 36' ' ' HIS . 7.1 t-20 -34.38 -53.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.7 m -94.38 150.19 37.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 97.12 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.64 -177.73 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.0 -115.87 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 p -150.9 129.9 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -96.21 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.1 p 42.0 47.01 3.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -130.82 94.59 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CE2' ' OD1' ' A' ' 31' ' ' ASP . 3.9 t80 -160.16 129.01 4.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -131.41 146.77 52.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.552 HG23 HD11 ' A' ' 82' ' ' LEU . 74.7 t -132.96 133.61 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.8 t -106.51 127.34 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD11 ' HG3' ' A' ' 24' ' ' PRO . 10.2 tt -148.79 118.96 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.5 t -100.18 126.39 53.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.581 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 3.4 t -156.51 126.03 6.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB2' HD13 ' A' ' 89' ' ' ILE . 8.9 t70 -63.38 -32.87 74.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -47.31 -20.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 52' ' ' SER . 38.1 m-85 -91.71 41.08 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.1 t -99.65 131.9 45.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 75.33 -58.54 2.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' GLY . 22.0 mt-10 -34.77 143.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 59' ' ' ARG . 6.6 mmp_? -64.43 -179.2 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.434 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 72.3 m-85 -72.01 -45.56 60.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 61' ' ' LEU . 1.6 tt -74.16 -36.39 64.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -58.62 -35.7 72.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 55' ' ' PHE . 8.5 ptm180 -92.16 -47.53 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 60' ' ' PHE . 54.1 m170 -51.83 -58.13 7.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' HIS . 32.3 ptt180 -36.2 -48.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -49.04 -59.69 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 84' ' ' LEU . 22.7 mm -43.57 -61.42 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 72' ' ' ALA . 26.5 m-85 -49.56 -52.62 28.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.9 t -38.72 -41.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.2 m -66.55 -48.53 69.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.594 ' O ' HD23 ' A' ' 75' ' ' LEU . 7.7 mt -108.89 40.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -46.2 -57.32 4.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 76' ' ' SER . 73.7 mm-40 -91.62 -44.57 8.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -42.82 -46.8 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 pp -74.17 -23.53 59.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' GLU . 10.7 t -89.04 17.01 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 m -88.82 -60.02 2.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.405 HG21 HG13 ' A' ' 10' ' ' ILE . 9.8 t -127.08 -39.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.43 115.95 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -83.4 -63.55 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.52 134.93 52.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 48' ' ' VAL . 60.4 tp -134.32 144.08 48.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.88 105.46 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' CD2' HG21 ' A' ' 67' ' ' ILE . 46.5 mt -83.09 128.08 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -116.0 78.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.0 p -84.09 108.63 17.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -110.75 158.45 18.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -103.32 140.67 37.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.145 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.698 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -43.15 -41.94 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -62.27 -53.98 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 95' ' ' LEU . 24.4 mm-40 -57.38 -50.16 73.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -60.3 -44.72 95.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -41.71 -39.59 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.73 46.97 0.66 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.3 OUTLIER -49.18 -47.38 46.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -78.97 47.75 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.72 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.2 m -166.2 149.81 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -45.62 -22.82 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -120.89 133.88 55.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.63 -39.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.4 p -160.18 149.98 14.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 151.18 69.27 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.27 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 144.4 53.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.373 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.09 155.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -46.98 -47.8 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 1' ' ' GLY . 94.6 p 34.3 43.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.405 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -100.92 126.53 47.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.31 114.19 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -159.26 106.83 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m -104.77 170.18 8.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.43 97.43 0.25 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -157.03 106.61 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.2 ptp -137.26 178.51 7.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 78' ' ' THR . 2.6 mp -73.86 -60.21 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -41.1 -38.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.0 -53.25 33.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -57.14 -39.71 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.35 -63.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' GLU . 23.3 mt-10 -55.24 -56.6 18.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 15' ' ' GLU . 33.6 mm-40 -33.74 -41.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' LEU . 41.0 mttt -75.75 -67.46 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 36.1 mt -35.22 -38.08 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -46.92 -52.5 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.84 13.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -44.29 -57.97 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 88.1 m-85 -114.5 -44.54 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 31.0 mt-30 75.01 51.65 0.22 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.78 -165.97 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.34 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.1 m -99.44 -39.19 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -113.13 151.87 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -160.9 127.21 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -158.91 148.87 19.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 48' ' ' VAL . 71.3 t -141.07 141.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -121.06 100.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.163 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -97.57 119.44 36.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 32' ' ' GLU . 1.6 pp20? -127.59 118.25 23.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 34' ' ' TYR . 69.9 m -122.5 -10.82 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 38' ' ' VAL . 24.1 m-85 34.68 47.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 18.5 mtm105 -95.9 -42.07 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 19.4 p80 -82.92 -53.52 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 7.0 t30 -52.66 -50.54 63.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 34' ' ' TYR . 34.8 m -128.2 151.9 76.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.656 0.741 . . . . 0.0 111.101 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.6 Cg_endo -69.77 -172.82 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.619 2.212 . . . . 0.0 112.348 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.53 129.03 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.068 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.48 97.67 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 p -174.59 143.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -100.83 137.65 38.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -66.39 83.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -109.63 97.96 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -107.22 139.06 42.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 13.1 ttpt -139.16 145.64 39.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 29' ' ' VAL . 70.3 t -143.71 136.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.19 136.08 50.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.662 HD23 ' O ' ' A' ' 50' ' ' LEU . 6.4 tt -154.07 106.89 2.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.3 t -92.76 109.66 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -132.71 161.44 33.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.3 t70 -91.36 -32.37 15.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -39.09 -29.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 26.9 m-85 -92.28 37.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASP . 9.7 t -93.44 -21.17 19.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -161.26 35.75 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -102.67 171.4 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -64.89 150.42 47.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -58.06 -43.2 86.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' ASN . 7.0 mp -64.02 -61.34 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 61' ' ' LEU . 22.8 m-20 -37.11 -45.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 42.9 ttp180 -40.39 -53.59 2.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -88.4 -51.95 5.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -38.89 -62.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 66.7 mtm -44.64 -57.33 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -47.41 -50.47 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' ALA . 17.8 m-85 -55.68 -56.69 17.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' TYR . 11.8 t -36.48 -40.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.6 m -69.73 -46.31 66.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.124 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD23 ' OE2' ' A' ' 74' ' ' GLU . 1.3 mt -108.03 34.78 3.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -47.08 -58.35 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 74' ' ' GLU . 6.0 tt0 -87.09 -48.88 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' OE2' HD23 ' A' ' 71' ' ' LEU . 39.4 mt-10 -34.63 -40.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.8 mt -76.32 -59.07 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.4 t -46.16 -31.84 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 32.9 m -39.56 -72.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HD13 ' A' ' 10' ' ' ILE . 12.8 t -120.36 -23.55 6.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.186 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.8 t -89.3 142.88 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -118.1 -44.32 2.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.6 119.95 28.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 83' ' ' ALA . 15.6 tp -121.19 144.13 48.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.583 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -105.11 90.82 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.58 131.62 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -126.21 91.35 3.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.9 p -101.31 129.13 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -126.46 159.01 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.6 p -97.22 148.47 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -42.96 -39.47 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -67.09 -59.02 3.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -50.77 -46.82 59.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -68.69 -43.83 75.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -41.43 -40.71 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.65 55.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -67.84 -52.49 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -88.42 40.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -161.83 118.52 2.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.3 p -116.05 109.1 17.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.12 146.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -109.37 161.62 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.99 168.43 27.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.6 p -153.2 143.1 15.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 140.9 43.92 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.67 10.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.4 m -125.59 172.68 9.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -57.79 176.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -75.23 173.15 11.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -113.08 -59.95 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.53 147.1 4.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -164.59 155.14 14.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -98.14 141.44 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.02 -151.62 5.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.7 mtp 61.53 42.21 11.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.1 mmm -103.32 171.01 7.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ARG . 48.6 mm -76.79 -59.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.481 ' CD ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -33.43 -53.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 11.4 pt-20 -58.92 -46.9 86.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 44.8 mtt180 -58.49 -38.74 78.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 71' ' ' LEU . 89.6 mt -60.79 -65.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' CD ' HG23 ' A' ' 29' ' ' VAL . 59.8 mt-10 -57.67 -50.87 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.4 mt-10 -36.21 -30.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -86.73 -53.64 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt -54.5 -22.55 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -57.04 -56.31 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.01 -33.53 16.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -49.37 -57.56 6.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.419 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 94.6 m-85 -109.13 -48.7 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.49 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.1 mt-30 74.97 51.56 0.22 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.0 Cg_endo -69.75 -171.41 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -96.55 -30.59 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -120.93 148.22 44.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -158.46 128.35 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -165.61 136.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.536 HG23 ' CD ' ' A' ' 15' ' ' GLU . 45.5 t -118.16 142.14 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG21 ' NZ ' ' A' ' 47' ' ' LYS . 61.0 t -110.45 100.99 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CD ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -87.83 144.02 26.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' O ' ' CD ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -96.41 51.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -89.55 43.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 34' ' ' TYR . 16.6 p90 -117.5 45.47 1.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HA ' ' CG2' ' A' ' 38' ' ' VAL . 15.7 ptm180 -75.83 -42.17 50.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m-70 -37.01 -45.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -67.94 -65.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 35' ' ' ARG . 16.7 m -61.65 149.96 82.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.718 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ALA . 54.0 Cg_endo -69.69 146.96 62.26 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -36.36 102.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.4 -118.99 0.84 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.0 m -162.23 124.74 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.19 131.78 54.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -125.54 44.19 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -90.12 90.09 7.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.607 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.4 t80 -125.99 129.0 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' NZ ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -152.06 144.68 24.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 29' ' ' VAL . 87.2 t -128.32 139.6 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.63 112.53 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.01 117.53 21.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -103.67 123.91 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -153.26 140.99 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -29.58 64.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -44.1 -27.63 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -91.0 38.54 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 56' ' ' THR . 10.8 t -90.99 121.51 32.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' THR . . . 34.54 76.76 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -146.85 174.9 11.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -44.24 164.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -90.14 -41.32 11.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 64' ' ' HIS . 9.1 tp -79.74 -51.67 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.972 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -35.82 -34.3 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 61' ' ' LEU . 28.0 mtp180 -64.75 -46.35 82.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' LEU . 77.4 m-70 -63.77 -67.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 64' ' ' HIS . 24.4 ptt85 -35.26 -41.52 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mtm -55.62 -54.84 39.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mm -64.72 -56.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' LEU . 16.3 m-85 -49.47 -60.88 2.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 16.0 t -36.36 -42.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.3 m -60.54 -47.52 85.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 ' HB2' HD23 ' A' ' 75' ' ' LEU . 7.9 mt -112.7 36.33 3.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.73 -65.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -88.43 -28.85 20.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -51.42 -70.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.614 HD23 ' HB2' ' A' ' 71' ' ' LEU . 2.9 pp -59.88 -38.9 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -57.09 -24.47 54.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -45.29 -64.73 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.5 t -118.56 -30.04 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 80.5 t -86.55 127.68 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -94.25 -50.15 5.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.9 156.59 39.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD13 ' CD2' ' A' ' 46' ' ' PHE . 31.4 tp -160.72 133.54 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -87.34 98.95 11.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 mt -79.59 120.92 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -105.57 96.01 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 62.0 p -100.33 121.0 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -134.86 164.59 27.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 69.8 p -104.1 -177.26 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.7 mp -72.39 -39.13 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' GLU . 6.8 tptp -77.67 -63.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 5.5 mm-40 -38.96 -40.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.485 ' O ' ' N ' ' A' ' 94' ' ' GLY . 8.6 t-105 -77.6 -47.35 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -38.68 -26.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TRP . . . -172.84 72.07 0.1 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.4 ' O ' HD23 ' A' ' 95' ' ' LEU . 7.6 tt -78.33 -34.1 48.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.925 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.88 38.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -162.14 142.16 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.3 p -139.13 106.91 5.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.38 143.43 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -87.92 148.32 24.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.26 150.22 32.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.4 t -118.88 142.29 31.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.64 43.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 105' ' ' CYS . 53.9 Cg_endo -69.81 141.26 44.57 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 104' ' ' PRO . 16.8 t 35.08 49.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -170.0 156.88 6.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -135.66 134.76 39.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -172.46 133.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.58 -140.25 2.1 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -86.26 82.99 7.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.41 77.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.98 172.24 0.13 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.523 ' CG ' HD11 ' A' ' 10' ' ' ILE . 9.2 ttm -103.67 80.7 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.8 mtm -65.51 103.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.584 ' CD1' HG21 ' A' ' 78' ' ' THR . 45.9 mm -98.64 -52.78 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -55.08 -19.58 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -89.78 -50.71 5.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 10.1 ptp180 -54.94 -39.3 68.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD13 ' A' ' 71' ' ' LEU . 80.9 mt -63.6 -66.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.663 ' HA ' HD12 ' A' ' 18' ' ' LEU . 36.3 mt-10 -44.96 -51.65 9.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.3 mt-10 -33.19 -49.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -66.24 -64.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.724 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 9.6 mt -39.59 -46.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.443 ' HD3' HD22 ' A' ' 27' ' ' LEU . 11.7 mmt85 -35.38 -61.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.1 -31.37 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -50.82 -43.71 59.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 75.3 m-85 -126.41 -48.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 22.0 mt-30 75.05 50.09 0.21 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.81 -170.77 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.9 -20.3 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -130.73 151.76 50.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD22 ' HD3' ' A' ' 19' ' ' ARG . 9.4 tp -159.73 125.07 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -165.84 131.31 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG22 HG22 ' A' ' 48' ' ' VAL . 46.1 t -114.46 148.19 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -122.94 114.89 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -111.23 133.57 53.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.61 89.37 3.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -124.46 116.07 21.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -60.66 125.54 24.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -59.28 -39.53 83.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -44.84 170.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -85.1 44.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -91.18 147.87 36.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.175 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 176.32 6.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.31 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.21 162.59 21.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.92 -85.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.9 p -76.56 -5.66 48.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -129.95 96.24 4.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 t -173.93 108.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -111.12 114.84 28.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.6 t80 -112.23 146.96 37.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.687 ' HE3' HG23 ' A' ' 49' ' ' VAL . 15.6 ttpt -151.42 146.21 25.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG23 HD11 ' A' ' 82' ' ' LEU . 42.4 t -136.61 130.96 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.687 HG23 ' HE3' ' A' ' 47' ' ' LYS . 97.3 t -106.77 124.63 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 50' ' ' LEU . 8.1 tt -138.41 106.66 5.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 69.7 t -92.75 122.92 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 t -156.94 156.08 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' PHE . 28.4 t70 -89.19 -36.5 15.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 53' ' ' ASP . 56.4 mmm-85 -36.02 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ASP . 45.5 m-85 -89.31 38.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 56' ' ' THR . 14.9 t -95.59 114.77 26.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.46 -41.17 3.07 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.78 165.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.366 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -80.94 146.18 30.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -49.51 -47.49 48.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.13 -55.16 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -53.43 -37.08 62.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -72.25 -33.73 67.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -75.03 -59.3 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 66' ' ' MET . 12.6 ptm180 -40.23 -45.37 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 14.6 mtm -52.85 -52.07 58.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.505 HG21 HD22 ' A' ' 84' ' ' LEU . 18.2 mm -55.7 -65.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 72' ' ' ALA . 12.6 m-85 -47.4 -58.24 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.5 t -35.29 -42.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.1 m -62.11 -60.7 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD13 HG23 ' A' ' 14' ' ' ILE . 5.4 mt -99.99 34.57 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -42.54 -62.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 74' ' ' GLU . 19.9 mt-10 -88.86 -42.53 11.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 73' ' ' GLU . 81.8 mm-40 -34.6 -40.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 HD22 ' A' ' 82' ' ' LEU . 11.7 mt -74.45 -55.9 5.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' THR . 43.2 m -46.74 -31.69 3.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' SER . 60.7 m -33.81 -63.12 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.584 HG21 ' CD1' ' A' ' 10' ' ' ILE . 7.4 t -124.13 -34.22 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.2 148.01 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -113.03 -45.15 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.99 143.78 43.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 46' ' ' PHE . 17.2 tp -157.6 123.54 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.54 103.36 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 67' ' ' ILE . 60.8 mt -73.77 137.58 44.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -131.26 80.02 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.517 HG22 HD22 ' A' ' 50' ' ' LEU . 2.1 p -88.43 115.98 26.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.403 ' HE2' HD13 ' A' ' 95' ' ' LEU . 5.5 m-85 -121.03 167.81 12.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 48.7 p -103.93 -179.15 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.413 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.8 mp -71.46 -41.15 72.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -69.7 -69.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.05 -44.83 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.408 ' C ' ' N ' ' A' ' 94' ' ' GLY . 2.6 t-105 -72.65 -44.81 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -44.12 -23.21 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 92' ' ' TRP . . . -178.3 58.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 96' ' ' GLN . 4.1 tp -37.78 -52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.3 tp60 34.98 47.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 96' ' ' GLN . 39.8 t0 34.45 47.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.1 m -166.36 144.94 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.124 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.7 t -87.32 128.57 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.448 ' CE1' ' O ' ' A' ' 101' ' ' ALA . 12.6 t80 -73.24 116.91 14.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' CE1' ' A' ' 100' ' ' PHE . . . -64.93 145.54 56.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.9 m -69.24 152.9 96.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.713 0.768 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 146.86 61.83 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.86 33.71 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.674 2.25 . . . . 0.0 112.34 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 92.8 m -49.41 106.79 0.12 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -86.93 179.72 6.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m -149.24 131.87 15.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -135.81 142.26 44.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.42 108.1 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -124.84 100.76 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.92 0.39 . . . . 0.0 110.838 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' GLY . 15.7 m -44.91 -37.83 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.8 68.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttp -79.59 50.94 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.6 mtp -106.99 146.42 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mm -65.19 -33.83 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -58.75 -40.3 83.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.35 -54.31 13.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -50.19 -28.9 8.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.757 HG23 HD11 ' A' ' 71' ' ' LEU . 76.9 mt -76.55 -55.24 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 18' ' ' LEU . 21.6 mt-10 -63.98 -57.46 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.1 pt-20 -36.59 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 15' ' ' GLU . 31.5 mttm -84.1 -56.89 3.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 12.7 mt -47.36 -47.49 26.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -37.74 -54.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.58 -18.78 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -60.82 -49.46 77.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.408 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 96.9 m-85 -126.92 -37.25 2.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 32.2 mt-30 72.9 54.07 0.3 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.75 -163.94 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' PHE . 32.5 m -103.5 -43.13 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' VAL . 46.9 t80 -107.51 154.28 21.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tp -160.61 136.16 8.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -173.04 141.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 15' ' ' GLU . 58.4 t -129.52 143.59 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.07 109.26 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -106.17 142.08 36.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.43 91.27 8.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.0 t -71.44 130.19 40.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -115.65 130.14 56.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ASN . 5.9 ptm180 -78.16 -42.35 31.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -51.2 91.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' ARG . 3.9 t30 -48.2 -45.11 33.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.851 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -38.74 150.43 0.21 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 0.0 111.115 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.57 28.4 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -163.85 155.04 16.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -172.56 61.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.494 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.5 t -80.84 -45.06 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -128.03 162.84 25.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.4 m -132.79 95.96 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -100.05 111.75 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -142.84 124.18 14.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 22.2 ttpt -121.6 155.55 34.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 55.3 t -148.01 134.38 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 85' ' ' HIS . 46.4 t -118.13 132.19 68.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' H ' HG22 ' A' ' 86' ' ' THR . 9.5 tt -151.4 106.41 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 87' ' ' TYR . 74.8 t -85.64 123.86 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -167.56 133.71 2.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.457 ' H ' HD11 ' A' ' 89' ' ' ILE . 0.5 OUTLIER -51.36 -30.87 20.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -47.95 -19.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.888 ' CE2' HG21 ' A' ' 86' ' ' THR . 5.0 m-85 -83.28 37.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -50.29 -29.03 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.05 25.27 49.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.447 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' OE2' ' ND2' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -47.62 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -101.12 154.65 18.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -65.85 -50.71 63.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -70.06 -49.52 50.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.462 ' ND2' ' OE2' ' A' ' 58' ' ' GLU . 16.3 t30 -34.62 -49.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' ASN . 15.4 ttm180 -34.74 -55.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 65' ' ' ARG . 6.3 m-70 -76.44 -46.58 26.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.501 ' HD2' HD12 ' A' ' 61' ' ' LEU . 13.8 mtp-105 -35.48 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -35.57 -49.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -70.86 -70.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.2 m-85 -38.62 -59.37 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' TYR . 5.2 t -35.45 -45.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -64.75 -49.93 68.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 HG23 ' A' ' 14' ' ' ILE . 5.9 mt -104.36 36.57 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.23 -65.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -83.01 -42.65 17.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.08 -42.93 9.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.0 pp -81.37 -24.24 37.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.6 m -90.6 13.35 16.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 m -83.14 -63.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.1 t -128.87 -32.12 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -71.13 126.01 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -92.12 -62.94 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.21 159.96 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 tp -152.17 126.88 9.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.59 95.35 5.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.0 mt -77.54 100.13 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.548 ' O ' HG13 ' A' ' 49' ' ' VAL . 64.3 t60 -104.4 79.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.888 HG21 ' CE2' ' A' ' 55' ' ' PHE . 69.3 p -107.7 160.43 15.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.527 ' O ' HG13 ' A' ' 51' ' ' VAL . 9.2 m-85 -146.39 142.28 28.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.9 p -69.87 137.87 52.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.736 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.69 -45.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.82 -66.89 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.01 -48.14 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -73.33 -42.06 62.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.03 -22.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.69 63.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.2 tp -57.39 -52.52 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 97' ' ' ASP . 43.3 tt0 -83.32 -50.95 7.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -37.13 -60.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -129.0 120.49 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.46 -32.11 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -169.56 167.02 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.48 168.93 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.047 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 7.5 t -87.11 133.0 39.91 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.675 0.75 . . . . 0.0 110.832 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 148.64 65.88 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.741 2.294 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -175.63 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.8 t -153.28 168.54 25.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -145.22 152.96 40.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -117.62 42.04 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 42.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.8 93.17 0.58 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -99.15 103.65 15.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 0.0 110.905 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m 48.72 43.87 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.36 175.65 30.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -133.65 35.33 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 mmm -75.59 142.72 42.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mm -82.3 -37.06 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 7.4 ttp-105 -47.73 -68.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 9.7 pt-20 -50.46 -44.19 55.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 22.2 mtt180 -54.64 -42.06 70.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 71' ' ' LEU . 39.9 mt -62.49 -70.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' LYS . 28.1 mt-10 -49.69 -54.0 21.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 5.7 mt-10 -34.38 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 15' ' ' GLU . 39.9 mttm -84.58 -63.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.801 HD21 HD11 ' A' ' 71' ' ' LEU . 33.4 mt -35.8 -37.34 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -49.01 -51.42 30.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.66 -24.52 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -54.08 -60.47 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -115.33 -35.63 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.455 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 25.8 mt-30 69.55 53.19 0.46 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.76 -167.99 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -102.38 -25.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -124.5 152.18 43.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 tp -160.67 128.73 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -167.68 125.13 1.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 48' ' ' VAL . 52.8 t -121.38 145.73 27.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.4 t -110.8 104.46 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -100.82 130.04 46.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 45' ' ' HIS . 5.4 mm-40 -104.51 114.23 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -81.54 136.34 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -76.64 111.86 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -122.38 -43.74 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.7 ' CE1' HG12 ' A' ' 38' ' ' VAL . 4.6 p80 -115.91 154.38 29.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -60.09 118.46 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE1' ' A' ' 36' ' ' HIS . 18.1 m -128.69 149.97 73.49 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.57 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -40.89 142.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.0 63.62 3.82 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -86.61 -44.9 11.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -174.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.0 m -77.16 82.38 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 32' ' ' GLU . 65.1 t60 -90.29 -5.98 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.783 ' CD2' HD13 ' A' ' 82' ' ' LEU . 1.8 t80 -155.24 127.82 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt -140.33 132.89 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.702 HG22 HG22 ' A' ' 29' ' ' VAL . 21.0 t -124.1 130.29 73.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.26 128.17 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 50' ' ' LEU . 9.6 tt -142.08 109.08 5.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.4 t -97.14 121.71 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.5 t -151.81 155.54 38.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.571 ' HB2' HD13 ' A' ' 89' ' ' ILE . 10.5 t70 -79.47 -34.97 41.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -39.7 -27.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 53' ' ' ASP . 47.1 m-85 -93.27 40.2 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -89.57 3.65 51.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.109 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.85 35.42 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -112.34 148.81 33.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -66.54 159.07 28.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -65.44 -34.62 78.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tt -65.64 -57.03 9.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 65' ' ' ARG . 7.0 t30 -50.2 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' HB2' ' CE1' ' A' ' 55' ' ' PHE . 30.3 ptt180 -40.3 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ASN . 13.2 m170 -93.25 -35.03 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 22.6 ptt85 -63.56 -30.14 71.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.38 -44.25 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' O ' HD12 ' A' ' 71' ' ' LEU . 18.8 mm -58.46 -58.05 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.758 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 33.7 m-85 -60.14 -31.57 70.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 t -64.25 -33.32 75.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.9 m -74.42 -48.61 26.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -116.14 44.2 2.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 68' ' ' TYR . . . -70.38 -24.33 62.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -93.58 -19.77 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 71' ' ' LEU . 29.2 mm-40 -63.14 -55.73 22.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -71.97 -31.87 66.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.7 t -64.5 -7.45 10.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.2 m -74.75 -59.38 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -133.97 -35.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.158 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 80' ' ' HIS . 94.0 t -66.87 154.48 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.446 ' N ' HG12 ' A' ' 79' ' ' VAL . 59.9 m-70 -117.08 -62.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.35 172.87 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.783 HD13 ' CD2' ' A' ' 46' ' ' PHE . 18.6 tp -170.89 139.12 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.82 97.1 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.5 mt -79.0 114.58 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -106.61 77.58 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.95 139.36 52.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -137.57 156.91 47.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.2 p -107.63 154.69 21.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.6 mp -53.56 -55.74 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.174 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.09 -40.35 15.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.759 ' HB3' HD23 ' A' ' 95' ' ' LEU . 19.8 mm-40 -65.34 -60.18 3.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 3.0 t-105 -51.84 -42.9 62.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.68 -43.24 2.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -145.89 39.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.759 HD23 ' HB3' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -62.81 -48.69 78.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.754 0.311 . . . . 0.0 110.963 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -80.73 -54.46 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -81.97 163.95 21.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.5 p -136.77 117.99 14.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.9 p -148.36 144.06 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -170.39 153.9 4.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.52 175.1 8.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 t -68.1 138.59 92.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.674 0.75 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.38 60.58 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -175.99 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.1 p -124.59 -177.13 3.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -46.71 -56.7 5.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 t -149.35 114.29 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -149.7 148.75 29.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.69 178.79 16.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -144.48 135.3 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.383 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -127.11 152.59 47.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.27 115.77 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.7 mtt -134.58 41.4 2.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.9 mtp -103.83 163.53 12.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG21 ' CG2' ' A' ' 79' ' ' VAL . 33.2 mm -77.14 -67.11 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 14' ' ' ILE . 25.7 ptt180 -36.08 -51.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -46.97 -55.61 7.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -59.92 -41.17 91.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.853 HG23 HD11 ' A' ' 71' ' ' LEU . 97.5 mt -52.43 -58.75 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.087 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 mt-10 -62.5 -55.37 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.3 mt-10 -32.57 -37.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . 26.1 mmtt -81.03 -64.83 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 17' ' ' LYS . 28.2 mt -36.78 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 17' ' ' LYS . 24.7 mtp180 -55.32 -53.55 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.13 -37.71 11.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.53 -61.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 97.7 m-85 -105.94 -47.03 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.4 mt-30 74.96 50.26 0.21 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.657 0.741 . . . . 0.0 110.941 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.1 Cg_endo -69.77 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.43 -29.49 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -119.39 148.8 42.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -156.36 131.7 9.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -170.93 127.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 84.1 t -115.27 133.42 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.6 t -105.71 97.98 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' CB ' ' HD3' ' A' ' 11' ' ' ARG . 16.2 t0 -103.08 115.74 31.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -111.12 74.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -108.26 123.34 48.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.488 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 15.5 m-85 -115.59 109.9 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.928 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -113.46 -26.51 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -45.47 -71.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -91.54 -68.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 34' ' ' TYR . 26.0 m -73.17 150.15 89.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 111.114 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.17 28.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.738 2.292 . . . . 0.0 112.322 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.73 56.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.32 46.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 81.2 p -143.64 114.63 7.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 43.83 47.9 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.7 p -95.44 83.27 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -93.69 159.43 15.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 t80 -128.62 135.01 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CE ' HG23 ' A' ' 49' ' ' VAL . 2.1 ttpm? -137.76 150.84 47.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.6 t -145.23 131.4 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' CE ' ' A' ' 47' ' ' LYS . 80.2 t -108.32 131.84 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 8.6 tt -147.79 118.21 7.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.0 t -105.23 120.93 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 t -157.44 135.98 11.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -55.8 -32.32 63.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -45.85 -21.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -95.41 42.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 56' ' ' THR . 9.0 t -95.95 111.67 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.56 70.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.47 -174.91 3.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.367 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 62' ' ' ASN . 27.5 mtp180 -82.58 121.31 26.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' ARG . 58.6 m-85 -36.5 -33.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' ARG . 5.0 mp -79.28 -44.35 21.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 59' ' ' ARG . 64.8 t-20 -39.19 -46.87 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.55 -57.06 12.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' ARG . 20.0 m-70 -54.29 -70.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 66' ' ' MET . 16.5 ptt180 -37.91 -41.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.479 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 11.3 mtm -60.59 -55.65 30.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 HG13 HD13 ' A' ' 84' ' ' LEU . 19.7 mm -61.66 -48.0 90.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 m-85 -57.44 -56.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.0 t -39.2 -42.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.8 m -65.01 -54.79 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 14' ' ' ILE . 11.1 mt -99.59 33.65 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -39.78 -64.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -84.11 -48.08 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -39.74 -40.91 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 ' C ' HD12 ' A' ' 75' ' ' LEU . 2.6 pp -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.587 ' N ' HD12 ' A' ' 75' ' ' LEU . 14.9 t -54.42 -21.19 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.7 m -54.33 -65.11 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.8 t -133.33 -32.87 1.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 10' ' ' ILE . 90.6 t -68.87 114.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -103.44 -58.57 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.28 132.39 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.628 HD12 ' N ' ' A' ' 83' ' ' ALA . 10.8 tp -135.33 136.12 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.628 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -93.75 87.79 5.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 HG13 ' A' ' 67' ' ' ILE . 42.1 mt -74.65 123.38 24.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -114.35 84.33 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -82.2 137.63 34.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -139.99 149.56 43.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -92.15 138.06 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.593 ' H ' HD12 ' A' ' 89' ' ' ILE . 3.9 mp -39.96 -39.88 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -69.57 -55.39 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.45 -48.0 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.421 ' O ' ' C ' ' A' ' 93' ' ' GLU . 5.5 t-105 -67.2 -47.01 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 92' ' ' TRP . 5.7 mm-40 -36.74 -40.87 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.55 55.52 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -49.41 -49.31 45.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -52.78 -49.0 66.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -102.17 103.75 14.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 34.3 p -78.06 -58.28 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.3 t -113.15 114.54 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -63.44 -54.33 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 102' ' ' SER . . . 52.77 39.64 29.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 101' ' ' ALA . 31.7 m -34.91 147.66 0.13 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.671 0.748 . . . . 0.0 110.825 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 147.81 63.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -177.59 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.6 p -114.53 171.03 7.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.22 -50.66 72.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -144.74 133.7 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -117.65 92.04 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.24 58.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -152.97 152.0 30.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -167.09 143.26 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.4 96.29 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 44.54 39.0 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.804 0.335 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 14.0 mmt -80.36 100.09 8.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.97 -41.05 87.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' CB ' HG11 ' A' ' 29' ' ' VAL . 10.5 ptt180 -47.18 -36.81 9.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.07 -66.34 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -48.05 -33.65 8.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 71' ' ' LEU . 33.5 mt -58.83 -64.29 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' LYS . 23.8 mt-10 -56.39 -53.66 54.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' GLU . 14.0 mt-10 -35.53 -35.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 19' ' ' ARG . 42.8 mttp -83.85 -66.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 34.6 mt -35.63 -35.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 17' ' ' LYS . 17.1 mtm180 -47.62 -61.13 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.25 -20.46 25.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -59.14 -40.03 84.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 93.8 m-85 -133.81 -43.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 29.7 mt-30 74.2 52.38 0.25 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.574 0.702 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.4 Cg_endo -69.72 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.6 -29.83 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -122.4 144.68 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 tp -157.32 119.83 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -159.26 129.65 5.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 48' ' ' VAL . 97.4 t -115.51 151.42 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.7 t -122.73 101.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -99.89 134.49 42.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -127.81 128.36 45.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -110.02 103.38 12.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 34' ' ' TYR . 32.3 p90 -133.99 99.74 4.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -117.85 -43.79 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -103.2 151.37 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 55.7 50.52 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 m -129.59 151.94 78.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -165.89 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.397 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.77 90.85 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 173.95 111.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.3 t -133.69 106.78 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 44' ' ' SER . 12.6 pt-20 -123.2 -47.34 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 36.9 m -150.48 114.31 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -129.23 44.78 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.734 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.7 t80 -160.86 136.17 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 14.4 ttpt -142.88 137.62 29.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.814 HG22 HG22 ' A' ' 29' ' ' VAL . 19.7 t -133.2 130.97 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 21.3 t -107.37 126.24 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.5 tt -146.52 110.39 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.2 t -88.63 128.52 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 2.3 m -165.56 158.64 15.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.798 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.66 -25.0 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -48.1 -23.25 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CD2' ' HB ' ' A' ' 86' ' ' THR . 9.5 m-85 -92.6 42.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -51.73 -36.25 46.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.75 -19.68 12.29 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.452 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' GLY . 12.3 pt-20 -36.22 -39.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.863 0.364 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -142.06 139.74 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -70.67 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 mp -57.68 -35.1 70.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -49.88 -19.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -87.21 -49.17 7.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CE1' HD12 ' A' ' 84' ' ' LEU . 54.6 m-70 -64.94 -54.64 27.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 66' ' ' MET . 11.9 ptm180 -38.72 -35.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.449 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 70.7 mtm -70.5 -52.17 23.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.2 mm -65.75 -63.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 72' ' ' ALA . 3.0 m-30 -44.36 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 68' ' ' TYR . 27.2 t -35.62 -45.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.9 m -63.43 -43.46 97.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.6 mt -113.95 37.22 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.26 -38.61 77.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -89.65 -53.18 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.91 -56.86 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -57.51 -52.35 65.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -48.03 -25.14 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.6 m -48.19 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -129.76 -31.18 1.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -66.13 139.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -122.61 -63.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.38 108.41 18.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.734 HD13 ' HD2' ' A' ' 46' ' ' PHE . 4.5 tp -110.73 126.98 55.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.718 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -85.96 87.38 7.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.071 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' A' ' 64' ' ' HIS . 81.7 mt -71.62 104.77 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -103.49 80.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.563 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 67.7 p -91.76 143.65 26.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.696 ' O ' HG13 ' A' ' 51' ' ' VAL . 5.7 m-85 -131.9 141.46 49.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 4.4 p -82.34 142.98 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.135 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.02 -60.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.089 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -52.12 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -40.78 -39.65 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.647 ' CE3' HD22 ' A' ' 95' ' ' LEU . 3.0 t-105 -72.73 -40.54 66.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -44.92 -23.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -178.99 68.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -50.18 -48.33 54.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -98.09 45.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -131.49 168.22 18.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.9 p -125.94 113.53 17.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.1 t -126.57 126.5 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -85.33 169.5 13.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -47.85 76.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.3 p -150.44 143.91 16.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.711 0.767 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 160.34 50.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -173.51 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.712 2.275 . . . . 0.0 112.357 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t 50.43 46.99 24.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.04 130.01 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -74.11 85.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m -89.57 90.7 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.21 -138.69 5.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -97.2 74.59 2.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -147.09 115.05 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -48.16 0.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.449 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -108.33 42.39 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.1 mtm -63.24 -60.3 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' ARG . 47.3 mm -75.69 -46.74 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' ILE . 37.5 ttt180 -36.43 -58.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -57.98 -50.57 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.1 mtt-85 -50.82 -46.66 59.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG23 HD22 ' A' ' 71' ' ' LEU . 84.3 mt -58.22 -71.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' LEU . 52.5 mt-10 -50.37 -56.76 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' GLU . 8.2 mm-40 -34.38 -38.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -74.06 -56.05 5.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 5.7 mt -51.77 -43.89 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -38.43 -53.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.4 -25.12 20.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.713 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.37 -59.96 3.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.414 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 78.8 m-85 -114.76 -39.35 3.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 26.7 mt-30 73.11 51.54 0.26 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.936 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 54.2 Cg_endo -69.73 -167.16 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 26' ' ' PHE . 14.5 p -98.67 -44.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' N ' HG13 ' A' ' 25' ' ' VAL . 37.4 t80 -106.5 152.24 23.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -160.58 131.28 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -166.33 149.92 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 48' ' ' VAL . 55.0 t -140.23 145.28 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -111.97 94.88 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -84.76 141.09 30.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -86.34 53.16 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -64.94 127.28 30.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -53.72 -37.91 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -43.54 -39.53 3.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -56.55 137.57 53.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -68.28 78.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.2 m -125.08 147.86 58.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.97 2.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.13 95.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.077 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -169.3 -107.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.3 m 54.23 47.02 24.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' SER . 0.5 OUTLIER -116.51 139.9 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 69.0 p 34.47 43.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -110.95 90.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.781 ' CD2' HD13 ' A' ' 82' ' ' LEU . 3.4 t80 -147.21 135.17 21.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HE3' ' CG2' ' A' ' 49' ' ' VAL . 12.8 ttpt -146.2 148.32 32.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.504 HG22 HG22 ' A' ' 29' ' ' VAL . 54.0 t -137.9 135.07 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 25.3 t -115.44 123.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 50' ' ' LEU . 8.8 tt -138.68 107.97 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 90.1 t -90.97 125.8 43.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.553 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 8.1 t -151.41 156.7 41.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -80.93 -36.09 31.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -37.86 -30.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 11.5 m-85 -90.43 39.78 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 57' ' ' GLY . 12.1 t -93.29 -45.59 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 56' ' ' THR . . . -140.04 36.3 1.83 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.27 174.82 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 0.0 110.939 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.79 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -86.1 -38.48 17.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 9.5 mt -88.12 -49.61 6.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -44.71 -48.46 10.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' HD2' ' N ' ' A' ' 64' ' ' HIS . 2.6 ppt_? -38.34 -37.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 1.5 p80 -92.35 -53.47 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 56.5 mtt180 -38.17 -60.21 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ARG . 69.2 mtm -37.74 -48.68 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.52 -58.08 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 m-85 -53.18 -56.35 17.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' TYR . 25.6 t -37.31 -40.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.815 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.8 m -54.45 -57.45 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.509 HD22 HG23 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -126.02 45.24 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -67.54 -32.84 73.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.148 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -87.84 -47.94 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -53.6 -47.69 69.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.4 pp -62.04 -14.43 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' LEU . 3.5 m -94.76 15.75 17.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.3 m -97.44 -57.29 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -113.56 -38.88 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 80' ' ' HIS . 99.3 t -83.88 154.81 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' HG12 ' A' ' 79' ' ' VAL . 26.3 p-80 -118.64 -53.07 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.66 159.24 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.781 HD13 ' CD2' ' A' ' 46' ' ' PHE . 44.3 tp -161.46 158.91 27.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.645 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -124.34 96.6 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.8 127.15 32.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -121.73 81.78 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.9 p -86.82 113.97 23.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -115.29 160.87 19.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 89' ' ' ILE . 12.2 p -95.59 137.58 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -34.0 -40.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -60.12 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.12 -44.33 31.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.5 t-105 -67.68 -49.49 62.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' TRP . 2.2 mm-40 -36.61 -34.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.68 61.17 0.23 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.488 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.84 -46.23 85.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -54.21 -47.85 71.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -141.76 147.35 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 41.7 p -132.13 121.3 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.2 p -76.27 150.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -44.24 151.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.64 68.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.7 p -164.87 128.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 149.03 65.98 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 105.88 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.363 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.6 t -102.05 172.25 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.486 ' HD2' ' N ' ' A' ' 107' ' ' GLY . 0.1 OUTLIER -123.86 148.58 46.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.486 ' N ' ' HD2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.3 p -67.29 167.51 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 m -124.85 -46.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -165.45 -105.53 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' GLY . 76.1 p 36.14 44.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 m -104.85 124.13 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.98 162.93 35.58 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -106.81 80.83 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 mmt -98.07 176.25 5.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.6 mm -97.91 -38.73 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.9 mtm180 -48.7 -55.87 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 13' ' ' ARG . 14.0 pt-20 -61.46 -45.68 93.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 35.0 mtt180 -54.23 -30.37 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -77.09 -57.31 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' LYS . 33.1 mt-10 -59.14 -56.71 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLU . 7.2 pt-20 -35.98 -30.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 29.5 mmtt -83.64 -53.0 5.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.671 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.9 mt -55.18 -48.0 74.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -37.79 -50.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.77 -24.11 19.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.671 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -52.91 -58.58 6.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.2 m-85 -121.74 -33.35 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 30.1 mt-30 72.62 52.75 0.29 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 110.974 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.7 Cg_endo -69.68 -172.9 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.719 2.279 . . . . 0.0 112.33 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.9 p -99.57 -26.42 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -123.56 147.36 47.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD11 HD12 ' A' ' 50' ' ' LEU . 10.3 tp -160.91 115.85 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.0 tp10 -144.76 133.39 22.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 t -117.02 145.57 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.31 95.18 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 46' ' ' PHE . 2.7 t70 -110.04 143.89 39.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -107.07 78.03 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -118.97 36.41 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -91.41 163.74 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.29 -21.93 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -95.58 -43.3 8.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -76.47 -49.01 17.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -123.29 149.39 57.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -163.83 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.16 169.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.05 66.07 1.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 1.2 t -82.11 95.93 7.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.821 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 45' ' ' HIS . 10.3 pt-20 45.76 38.78 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.0 m -55.73 81.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.9 m80 -42.03 151.02 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 31' ' ' ASP . 3.5 t80 -118.46 149.61 40.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 3.9 ttmt -136.97 145.0 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 39.8 t -142.04 106.42 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.7 t -95.42 114.12 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD11 ' A' ' 27' ' ' LEU . 9.9 tt -135.72 112.16 9.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -82.38 139.65 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -169.06 162.82 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.13 -30.13 13.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 5.7 mmm180 -46.56 -26.95 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -91.6 40.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -76.35 50.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.72 36.41 37.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' ARG . 13.6 mt-10 -75.85 -174.92 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' GLU . 11.0 mpt_? -35.09 124.98 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.799 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -43.83 -34.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ARG . 19.9 mt -76.96 -49.7 14.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -39.38 -28.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.84 -54.87 11.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 4.9 m-70 -93.11 -49.67 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 64' ' ' HIS . 22.4 mtp85 -34.43 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 65' ' ' ARG . 37.0 mtm -37.74 -53.32 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.4 mm -65.37 -70.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 9.9 m-85 -38.18 -60.52 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' TYR . 6.5 t -34.96 -42.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.1 m -64.58 -45.04 88.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' TYR . 4.8 mt -117.43 37.86 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -43.31 -67.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' LEU . 37.6 mt-10 -83.15 -46.43 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 73' ' ' GLU . 69.8 mm-40 -34.25 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 73' ' ' GLU . 17.1 mt -83.53 -62.07 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.3 m -43.44 -24.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.0 m -47.39 -65.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -121.27 -35.33 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.7 t -84.3 121.51 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -90.79 -60.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.26 151.97 19.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 84' ' ' LEU . 12.7 tp -161.55 137.87 8.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.14 104.63 13.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD21 HD21 ' A' ' 82' ' ' LEU . 48.1 mt -78.4 106.3 10.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -105.58 79.29 1.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.1 p -89.48 124.88 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -122.12 156.26 33.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -94.03 168.75 10.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.621 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.5 mp -58.53 -40.46 78.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -75.11 -58.58 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -42.2 -48.81 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -71.55 -45.5 62.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 89' ' ' ILE . 3.7 mm-40 -39.58 -40.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.17 59.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.608 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -62.39 -50.96 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.948 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -94.5 -39.56 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -91.95 159.57 15.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.0 p -148.24 108.94 4.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.45 145.97 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.132 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -135.99 156.52 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.25 150.95 41.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 83.2 p -138.79 143.95 39.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.688 0.756 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.09 64.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 122.68 9.36 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' ARG . 26.6 p -91.25 170.69 9.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' CYS . 58.1 ttm-85 -34.73 -54.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -149.65 174.7 12.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -134.41 124.28 25.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.63 41.33 2.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 m -149.14 149.68 31.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.374 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.3 p -47.88 152.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.32 66.1 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.4 ttp -99.81 80.58 2.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 110.835 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.7 mtm -90.09 90.2 8.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.25 -52.15 9.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 11' ' ' ARG . 12.6 ttp-105 -57.4 -21.24 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.14 -46.22 9.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -62.12 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.5 mt -60.28 -68.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 17' ' ' LYS . 31.4 mt-10 -54.74 -55.63 27.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 10.3 mt-10 -37.04 -29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.0 OUTLIER -86.2 -51.41 6.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 13.8 mt -57.49 -24.27 54.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -59.03 -51.76 68.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -26.46 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.3 -61.17 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 98.9 m-85 -112.96 -39.07 4.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 8.8 mt-30 70.97 51.18 0.34 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.941 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.3 Cg_endo -69.83 -166.27 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' PHE . 33.5 m -100.28 -40.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 28.0 t80 -108.77 149.43 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 tp -161.17 119.48 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.11 126.61 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.499 HG13 HG22 ' A' ' 48' ' ' VAL . 46.4 t -116.29 136.99 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG2' ' HE2' ' A' ' 47' ' ' LYS . 82.0 t -109.69 114.08 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.45 152.31 21.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 33' ' ' SER . 10.4 mm-40 -129.24 79.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 32' ' ' GLU . 43.8 p -35.77 134.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -112.99 47.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -83.82 34.41 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 37' ' ' ASN . 6.1 p80 -104.56 -53.89 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' A' ' 36' ' ' HIS . 75.8 m-20 58.97 54.9 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.06 151.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 102.93 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.727 2.285 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.23 154.68 33.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -47.53 -53.17 13.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.5 p -90.09 93.19 9.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.829 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.39 -60.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 m -121.15 102.86 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -117.62 149.55 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.699 ' CD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 -157.92 142.99 16.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' HE2' ' CG2' ' A' ' 30' ' ' VAL . 17.4 ttpt -144.55 146.84 32.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 HG13 ' A' ' 29' ' ' VAL . 49.7 t -141.41 120.49 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.9 t -100.69 115.64 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 50' ' ' LEU . 8.6 tt -133.97 110.43 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 87' ' ' TYR . 97.6 t -92.92 108.76 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 32.6 t -124.63 152.47 43.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.501 ' OD2' HD13 ' A' ' 89' ' ' ILE . 6.0 t70 -83.05 -37.93 23.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -39.26 -28.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.0 m-85 -90.45 37.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ASP . 5.6 t -62.88 -27.25 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.0 30.95 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.48 163.78 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -78.29 160.65 27.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -54.63 -42.65 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.8 mp -72.33 -48.58 40.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -51.24 -36.26 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HG2' ' CD1' ' A' ' 55' ' ' PHE . 18.7 mtp180 -73.51 -40.63 63.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 84' ' ' LEU . 5.1 m-70 -68.07 -58.66 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 66' ' ' MET . 14.1 ptm180 -38.59 -40.41 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' ARG . 5.4 mtm -61.83 -55.15 32.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mm -57.11 -57.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.1 m-85 -51.06 -56.95 10.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' TYR . 23.0 t -34.94 -35.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' TYR . 30.7 m -77.55 -44.82 27.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 68' ' ' TYR . 5.8 mt -115.41 40.61 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -52.72 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 76' ' ' SER . 5.2 pt-20 -80.24 -38.9 30.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 40.5 mm-40 -39.49 -50.26 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.6 mt -70.95 -27.77 63.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' GLU . 56.6 m -81.37 15.14 2.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 99.6 m -91.59 -58.71 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 79' ' ' VAL . 13.5 t -124.22 -50.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.597 ' N ' HG23 ' A' ' 78' ' ' THR . 23.9 t -62.64 124.97 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -79.01 -73.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.55 155.35 19.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.6 tp -151.84 141.7 21.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.777 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -118.07 103.79 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 58.8 mt -79.32 132.07 36.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -119.83 81.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.5 p -86.06 122.57 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.883 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.8 m-85 -132.47 138.54 47.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' GLU . 28.3 p -72.3 174.44 7.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.166 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.4 mp -66.08 -34.39 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -81.55 -58.84 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.61 ' OE2' ' CD2' ' A' ' 87' ' ' TYR . 3.1 pt-20 -48.68 -20.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -93.13 -34.66 13.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.4 -35.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -172.23 63.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 38.5 tp -41.69 -49.18 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -59.94 -51.37 69.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.3 t0 51.89 42.55 30.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.4 p -64.24 -44.69 91.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.7 m -52.38 134.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -97.24 -49.42 4.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 144.2 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -162.79 145.19 8.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.661 0.743 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.42 64.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.653 2.236 . . . . 0.0 112.366 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -175.71 1.25 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 19.3 p -142.49 172.75 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 59.2 ttp180 -154.4 159.3 41.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.446 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 p 43.71 42.22 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -48.83 141.74 7.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.03 -146.57 6.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.8 m -128.12 142.58 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -157.03 177.12 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.46 -118.3 0.59 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.6 mtm -95.04 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.797 0.332 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.3 ptp -112.28 80.84 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 HG21 ' A' ' 78' ' ' THR . 36.4 mm -41.59 -51.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 10' ' ' ILE . 5.8 tmm_? -36.61 -65.03 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -52.55 -48.09 66.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.0 mtp85 -52.65 -42.9 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.8 mt -58.77 -70.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' HG23 ' A' ' 29' ' ' VAL . 17.0 mt-10 -54.61 -54.64 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 15' ' ' GLU . 27.2 mm-40 -34.52 -34.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 1.2 mtpm? -80.55 -55.21 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.725 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 14.3 mt -50.99 -44.65 60.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtm180 -36.98 -57.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -24.42 24.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.725 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -53.9 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 66' ' ' MET . 55.2 m-85 -114.25 -38.93 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 17.9 mt-30 71.63 53.17 0.35 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 110.971 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.9 Cg_endo -69.72 -166.28 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 26' ' ' PHE . 34.4 m -97.4 -48.05 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' N ' HG23 ' A' ' 25' ' ' VAL . 29.1 t80 -103.4 152.05 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD23 ' OE1' ' A' ' 15' ' ' GLU . 9.0 tp -160.86 131.12 5.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -169.96 141.34 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.684 HG23 ' OE2' ' A' ' 15' ' ' GLU . 17.1 t -129.85 137.0 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -109.41 102.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.99 123.65 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -129.74 95.5 3.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -100.31 120.17 39.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -107.5 87.16 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.951 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' HIS . 77.3 mtm-85 -68.35 -51.4 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 35' ' ' ARG . 15.9 m170 -34.9 125.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.23 101.49 2.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.28 150.39 44.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 101.03 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 42.18 42.88 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.12 -93.06 0.41 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 62.4 m -115.25 98.03 6.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -59.97 -55.62 31.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -165.72 119.22 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -117.14 110.71 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -132.58 141.71 48.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.604 ' HE3' HG23 ' A' ' 49' ' ' VAL . 14.0 ttpt -148.68 130.43 15.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.68 HG22 HG13 ' A' ' 29' ' ' VAL . 69.8 t -123.0 136.25 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.604 HG23 ' HE3' ' A' ' 47' ' ' LYS . 87.1 t -119.09 121.56 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CG ' ' HG3' ' A' ' 24' ' ' PRO . 9.8 tt -143.46 109.06 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 87' ' ' TYR . 72.1 t -89.15 115.22 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.533 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 20.8 t -138.11 163.91 30.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -24.42 31.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -50.37 -24.13 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 52' ' ' SER . 4.4 m-85 -87.06 39.14 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.524 HG23 ' H ' ' A' ' 58' ' ' GLU . 2.3 t -41.81 -30.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 116.3 -22.71 10.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' H ' HG23 ' A' ' 56' ' ' THR . 11.9 pt-20 -37.91 -50.14 1.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 58' ' ' GLU . 25.4 mtp180 -137.05 126.55 25.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -67.46 -41.17 85.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.34 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 59' ' ' ARG . 59.4 m-20 -40.13 -40.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -54.39 -60.23 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 8.6 m170 -56.79 -55.87 28.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 64' ' ' HIS . 36.3 mtp180 -35.55 -68.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 76.1 mtm -42.73 -53.01 4.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.8 mm -55.01 -74.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' CE2' ' HB3' ' A' ' 64' ' ' HIS . 22.8 m-85 -41.56 -62.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' TYR . 21.6 t -35.93 -46.31 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 42.5 m -61.64 -56.9 14.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.129 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.0 mt -94.78 31.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.14 -58.44 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' SER . 50.1 tt0 -84.13 -54.52 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -42.41 -47.92 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 75' ' ' LEU . 1.1 pp -69.07 -28.09 66.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' GLU . 22.8 t -85.4 17.12 3.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.8 m -88.56 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 HG21 HG13 ' A' ' 10' ' ' ILE . 4.3 t -130.47 -35.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.2 123.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 32.4 t60 -95.78 -71.1 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -105.09 148.21 27.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.735 HD12 ' H ' ' A' ' 83' ' ' ALA . 11.5 tp -150.99 141.79 22.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.735 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -102.37 93.09 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.51 116.15 11.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -114.69 78.08 1.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.418 ' HB ' ' CE2' ' A' ' 55' ' ' PHE . 65.2 p -91.16 131.19 36.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' O ' HG13 ' A' ' 51' ' ' VAL . 8.0 m-85 -126.13 147.02 49.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ILE . 30.0 p -84.64 140.09 31.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -34.16 -62.77 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.092 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -41.57 -62.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' HB3' HD23 ' A' ' 95' ' ' LEU . 5.4 mm-40 -42.82 -51.76 5.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -59.65 -47.93 83.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -38.8 -39.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -146.25 49.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.578 HD23 ' HB3' ' A' ' 91' ' ' GLU . 0.4 OUTLIER -76.47 -50.38 14.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.892 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -67.57 -47.97 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -62.03 122.25 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 74.7 p -61.76 -48.91 78.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.0 t -87.44 100.27 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -88.02 112.93 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.84 145.41 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.2 m -163.96 152.65 11.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.672 0.748 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.422 ' HA ' ' HD2' ' A' ' 104' ' ' PRO . 54.2 Cg_endo -69.78 116.63 4.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.385 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 103' ' ' PRO . 53.6 Cg_endo -69.77 113.32 3.34 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.1 p -126.25 120.47 30.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -88.2 -46.22 9.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -140.22 132.65 28.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -96.47 -58.15 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.95 90.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -149.32 135.09 18.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -174.88 172.68 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.0 177.73 21.82 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.92 39.46 3.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.0 mmm -73.12 160.03 32.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.8 mm -57.26 -37.52 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' NE ' ' OD1' ' A' ' 31' ' ' ASP . 71.5 mtp180 -58.54 -29.26 66.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 -56.31 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 14' ' ' ILE . 8.8 ptp180 -49.58 -32.95 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.646 HG23 HD11 ' A' ' 71' ' ' LEU . 96.3 mt -73.88 -65.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 17' ' ' LYS . 6.2 mm-40 -56.72 -55.28 36.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' GLU . 6.3 mm-40 -35.03 -31.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 15' ' ' GLU . 42.0 mttt -85.55 -51.73 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.83 -20.76 38.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 23' ' ' GLN . 30.1 mtp85 -61.77 -61.88 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.7 -34.5 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.02 -53.35 6.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.405 ' C ' ' HG3' ' A' ' 23' ' ' GLN . 73.5 m-85 -120.61 -46.21 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 27.3 mt-30 74.97 55.0 0.24 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 54.1 Cg_endo -69.75 -175.89 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.376 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.5 -31.3 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -127.88 148.89 50.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 50' ' ' LEU . 4.4 tp -157.16 136.78 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -169.16 158.68 8.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.7 t -139.13 144.32 29.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.9 t -119.83 115.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' OD1' ' NE ' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -98.34 114.91 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -133.55 81.39 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.8 p -129.8 98.15 4.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 34' ' ' TYR . 1.6 m-85 -121.38 -38.45 2.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 35' ' ' ARG . 4.3 ptp180 -54.91 -20.0 7.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -41.23 -31.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' O ' HG13 ' A' ' 38' ' ' VAL . 47.6 t30 -70.22 69.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 37' ' ' ASN . 26.9 m -160.22 152.25 16.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.619 0.724 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 40' ' ' ALA . 53.9 Cg_endo -69.78 -165.74 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' PRO . . . -33.82 123.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.34 108.02 2.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.445 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 10.1 t -175.16 145.38 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -115.47 171.39 7.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.0 p -135.92 111.07 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.09 153.63 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -158.55 135.79 9.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -128.18 141.9 51.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -138.74 133.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.89 136.48 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 24' ' ' PRO . 9.4 tt -157.62 109.35 2.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 87' ' ' TYR . 55.3 t -87.41 124.59 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.462 ' HB2' ' CE2' ' A' ' 55' ' ' PHE . 1.9 m -154.24 156.76 37.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 0.9 OUTLIER -91.51 -33.95 14.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -40.38 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 13.0 m-85 -88.49 39.73 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -102.43 120.84 41.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.176 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . 79.12 -62.58 3.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 57' ' ' GLY . 17.2 pt-20 -35.31 145.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.838 0.352 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -56.25 174.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -90.58 -53.43 4.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tt -42.12 -49.64 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' HA ' ' CD ' ' A' ' 65' ' ' ARG . 3.8 t30 -66.02 -51.77 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 31.3 ttp180 -37.64 -48.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -61.1 -46.27 91.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 62' ' ' ASN . 47.1 mtp85 -40.28 -57.81 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.2 mtm -46.9 -56.97 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.5 mm -53.37 -52.12 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 72' ' ' ALA . 18.9 m-85 -52.12 -47.81 65.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 t -45.92 -41.29 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -52.17 65.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 HD11 HG23 ' A' ' 14' ' ' ILE . 10.9 mt -108.34 37.74 2.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -44.9 -60.2 2.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 76' ' ' SER . 1.7 mp0 -86.69 -50.05 7.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -38.62 -50.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.6 pp -70.26 -31.71 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.945 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 73' ' ' GLU . 7.9 t -82.66 17.63 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -87.16 -65.41 1.02 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.3 t -127.7 -29.92 2.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.07 111.07 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -80.18 -67.32 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.46 157.67 18.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 84' ' ' LEU . 23.8 tp -164.87 125.41 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.96 100.83 10.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.091 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD21 HD21 ' A' ' 82' ' ' LEU . 66.2 mt -76.7 115.85 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -106.51 80.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.478 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 23.8 p -93.25 111.62 23.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' O ' HG13 ' A' ' 51' ' ' VAL . 4.2 m-85 -115.4 134.4 55.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 35.6 p -71.32 168.67 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.78 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.2 mp -50.0 -48.04 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -71.99 -50.05 31.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -43.36 -35.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -80.46 -42.22 23.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -43.21 -26.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -171.58 66.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.561 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 95' ' ' LEU . 7.6 tt -34.71 -48.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.931 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -75.0 -51.87 12.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.8 t0 53.41 43.26 31.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.8 m -62.78 -46.98 85.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.27 139.47 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -108.51 164.23 12.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -171.6 136.25 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 103' ' ' PRO . 22.2 m -147.3 108.62 3.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 102' ' ' SER . 53.9 Cg_endo -69.72 126.22 13.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.374 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 162.43 42.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.703 2.269 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 2.0 t -131.15 161.51 31.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -142.43 177.11 8.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 63.28 42.16 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 110.801 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -128.88 145.1 51.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.65 165.81 28.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -160.73 177.47 10.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.806 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -124.8 169.53 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.04 -173.03 48.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.4 mtp -123.43 88.85 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.2 mmt -99.09 118.51 36.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.0 mm -62.25 -54.59 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 23.0 mtm105 -42.45 -61.19 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -45.58 -52.26 10.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -53.19 -38.62 62.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.34 -69.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 42.5 mt-10 -54.89 -54.12 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLU . 21.8 mt-10 -34.31 -40.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 18' ' ' LEU . 26.3 mmtm -78.58 -65.43 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 41.8 mt -35.59 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -41.07 -51.8 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.51 -28.36 17.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -51.88 -62.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 67' ' ' ILE . 62.9 m-85 -111.83 -38.91 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 4.2 mt-30 71.89 52.97 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.2 Cg_endo -69.74 -169.67 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.5 p -100.48 -28.33 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -120.82 150.92 40.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 tp -160.79 126.66 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -164.31 130.37 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' HG2' ' A' ' 11' ' ' ARG . 57.6 t -112.89 138.92 40.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG21 ' HZ3' ' A' ' 47' ' ' LYS . 48.3 t -118.41 119.43 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.02 140.88 33.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -133.91 104.55 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 m -147.29 126.13 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -90.24 117.61 29.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -66.34 -42.27 88.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -42.35 148.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' C ' HG13 ' A' ' 38' ' ' VAL . 39.5 m-20 -84.7 45.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 HG13 ' C ' ' A' ' 37' ' ' ASN . 32.6 m -157.45 148.66 16.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.663 0.744 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.23 42.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.359 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -113.89 -15.86 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.091 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -68.51 0.48 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.3 p -110.97 80.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -62.3 -45.63 92.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -101.88 86.89 2.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -125.05 80.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' HD2' HD13 ' A' ' 82' ' ' LEU . 4.5 t80 -102.65 139.49 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HZ3' HG21 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -150.48 141.21 22.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.5 t -128.72 131.61 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.4 t -102.2 123.88 55.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.2 tt -142.75 116.15 9.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.1 t -103.55 119.31 51.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 44.6 t -136.86 146.28 45.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' HB2' HD13 ' A' ' 89' ' ' ILE . 6.1 t70 -96.05 -17.58 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 5.4 mmm180 -65.63 -13.43 59.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 63' ' ' ARG . 28.7 m-85 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -46.21 141.41 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.14 -56.59 2.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -40.88 154.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -69.61 167.19 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' ARG . 50.0 m-85 -75.6 -46.24 32.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 60.2 mt -50.21 -70.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 63' ' ' ARG . 2.6 p30 -43.96 -36.81 2.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 17.6 ttm180 -38.76 -67.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 61' ' ' LEU . 20.2 p80 -68.77 -53.82 19.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 64' ' ' HIS . 38.6 mtp85 -34.55 -60.77 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 34.6 mtm -40.41 -48.65 2.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 22' ' ' PHE . 29.6 mm -59.35 -53.46 47.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.508 ' O ' ' N ' ' A' ' 72' ' ' ALA . 11.0 m-85 -59.5 -29.22 67.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 m -64.68 -48.0 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.4 m -68.79 -29.0 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.998 HD22 ' CD ' ' A' ' 74' ' ' GLU . 10.8 mt -116.29 27.44 9.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -58.98 -20.97 57.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -94.49 -28.74 15.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.998 ' CD ' HD22 ' A' ' 71' ' ' LEU . 29.0 mt-10 -51.88 -54.09 33.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -68.29 -21.8 64.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.1 m -88.09 3.2 49.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 97.8 m -109.12 -71.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -125.74 -55.72 1.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.3 t -49.8 135.6 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -103.81 -59.07 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.99 133.33 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.849 HD12 ' N ' ' A' ' 83' ' ' ALA . 5.9 tp -134.23 139.87 46.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.849 ' N ' HD12 ' A' ' 82' ' ' LEU . . . -102.69 94.29 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 67' ' ' ILE . 49.8 mt -70.86 121.84 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -115.72 80.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 p -87.99 127.91 35.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -131.11 165.8 22.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 p -109.45 145.92 35.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.644 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -40.96 -35.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -69.58 -62.22 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.78 -38.03 20.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -75.98 -40.68 53.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -45.2 -22.05 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 178.07 56.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.56 -46.87 28.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.761 0.315 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -42.3 -53.48 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.733 ' OD1' HG12 ' A' ' 99' ' ' VAL . 3.5 t70 -42.03 160.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 99' ' ' VAL . 12.2 t -120.73 -51.56 2.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.733 HG12 ' OD1' ' A' ' 97' ' ' ASP . 6.8 p -44.6 137.8 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -103.33 133.24 48.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.01 6.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.7 m -65.33 144.05 98.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.718 0.77 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 121.18 7.87 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 107.78 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 18.0 p -155.5 172.32 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 107' ' ' GLY . 41.6 ttp180 -56.07 157.56 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 106' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -97.06 171.35 8.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 m -58.76 146.91 35.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 126.3 24.97 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -60.7 142.58 55.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -84.02 122.88 29.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.3 131.59 1.35 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -116.01 82.63 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtm -101.13 131.06 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 14' ' ' ILE . 2.6 mp -41.84 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -50.03 -39.51 41.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 11' ' ' ARG . 14.7 mt-10 -62.25 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -48.96 -43.09 39.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.923 HG23 HD22 ' A' ' 71' ' ' LEU . 83.1 mt -52.68 -56.23 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.508 ' CD ' HG23 ' A' ' 29' ' ' VAL . 19.6 mt-10 -65.99 -53.65 36.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLU . 9.6 mt-10 -34.35 -35.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 15' ' ' GLU . 44.4 mttt -80.54 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.733 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 38.2 mt -35.59 -41.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -43.06 -63.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.99 -15.31 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.733 ' HB3' ' HA ' ' A' ' 18' ' ' LEU . . . -66.43 -44.86 81.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.64 ' CE2' HD13 ' A' ' 67' ' ' ILE . 98.8 m-85 -126.73 -38.94 2.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 24' ' ' PRO . 39.9 mt-30 70.36 52.08 0.39 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.579 0.704 . . . . 0.0 110.953 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 23' ' ' GLN . 53.6 Cg_endo -69.74 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.618 2.212 . . . . 0.0 112.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 HG13 ' A' ' 89' ' ' ILE . 24.7 m -101.95 -27.41 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -124.65 150.85 45.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.8 tp -159.5 124.27 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -162.91 130.58 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 HG22 ' A' ' 48' ' ' VAL . 21.9 t -112.1 134.79 53.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.0 t -108.98 96.08 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -89.19 160.68 16.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 34' ' ' TYR . 1.4 pm0 -111.54 126.58 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.7 p -114.5 40.18 2.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 32' ' ' GLU . 72.8 m-85 -71.53 122.58 20.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -102.9 -47.17 4.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.464 ' CD2' ' H ' ' A' ' 36' ' ' HIS . 0.2 OUTLIER -65.89 139.67 58.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -81.45 91.66 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.09 147.52 29.31 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.661 0.744 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.74 2.294 . . . . 0.0 112.311 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.59 -177.22 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -126.87 66.08 0.56 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.2 p -144.74 123.22 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -52.09 -43.48 63.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 m -133.64 109.16 9.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -55.11 -14.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.7 t80 -127.95 125.5 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.71 143.98 37.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG22 HG13 ' A' ' 29' ' ' VAL . 92.0 t -124.53 133.27 69.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -107.78 116.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 50' ' ' LEU . 10.5 tt -135.2 110.68 9.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.26 123.68 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -152.25 148.82 28.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 55' ' ' PHE . 3.3 p30 -72.47 -33.2 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 84.3 mmt-85 -39.12 -27.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.806 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' ASP . 27.4 m-85 -93.14 40.06 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 56' ' ' THR . 11.4 t -105.74 41.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.59 -31.29 0.42 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -52.91 178.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -97.26 -178.42 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -83.61 -35.91 24.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.622 HD23 ' H ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -71.08 -50.67 31.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' HIS . 52.1 t30 -61.65 -64.41 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 29.3 ptt180 -38.64 -26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASN . 7.4 m170 -92.24 -41.94 10.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 62' ' ' ASN . 4.6 ptm180 -54.62 -30.76 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -41.69 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.64 HD13 ' CE2' ' A' ' 22' ' ' PHE . 36.4 mm -64.97 -53.63 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 m-85 -55.55 -62.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' TYR . 36.1 t -37.14 -33.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' TYR . 16.6 m -66.58 -49.53 66.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.923 HD22 HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -129.32 45.27 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . . . -69.53 -25.99 64.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -90.52 -41.51 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -59.05 -46.42 88.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -67.37 -13.45 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 t -97.5 13.82 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.4 m -84.17 -59.27 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -128.27 -30.73 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.5 t -75.0 145.94 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.78 -54.86 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.82 115.18 21.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.532 HD11 HG23 ' A' ' 48' ' ' VAL . 58.3 tp -112.28 147.12 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.46 119.75 39.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.1 mt -95.23 103.79 15.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -97.01 78.0 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.433 ' HB ' ' CD2' ' A' ' 55' ' ' PHE . 30.8 p -85.77 127.42 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -130.14 171.59 12.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.0 p -108.52 147.89 31.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.196 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 89' ' ' ILE . 5.3 mp -44.68 -60.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -52.93 29.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.957 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -48.49 -42.59 33.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -69.8 -41.98 74.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -42.59 -27.97 0.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -173.54 68.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' GLN . 7.9 tp -63.56 -50.05 71.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' LEU . 39.4 tt0 -37.68 -64.22 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -164.83 168.43 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.2 p -120.92 109.92 15.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.4 t -113.95 100.02 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -123.7 100.3 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.49 133.2 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.3 p -78.4 136.47 60.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.687 0.755 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 130.03 18.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -177.86 2.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.1 m -62.76 123.56 18.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -80.78 -49.24 11.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 -179.954 . . . . . . . . 0 0 . 1 stop_ save_