data_2vxd_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 2vxd _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.494 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.74 0.225 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HE2' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.422 ' CG2' ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 44' ' ' ILE . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.494 ' CE1' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 31' ' ' TYR . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.404 ' CE ' ' CD2' ' A' ' 47' ' ' LEU . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.444 HG22 ' CG ' ' A' ' 36' ' ' PHE . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.475 ' HE1' ' CZ ' ' A' ' 31' ' ' TYR . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo . . . . . 0 N--CA 1.467 -0.083 0 CA-C-O 120.867 0.278 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 25' ' ' GLU . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' PHE . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.613 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.475 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CZ2' HD11 ' A' ' 54' ' ' LEU . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD11 ' CZ2' ' A' ' 50' ' ' TRP . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.922 0.391 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.434 HG22 ' CG ' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.426 ' HE1' ' CE1' ' A' ' 36' ' ' PHE . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CG ' HG22 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 50' ' ' TRP . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.45 ' CE ' ' CE1' ' A' ' 36' ' ' PHE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.846 0.269 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HG12 ' CG2' ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 31' ' ' TYR . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.917 0.389 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.505 ' HG2' ' OH ' ' A' ' 31' ' ' TYR . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.83 0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.505 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 28' ' ' PHE . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CG ' HG22 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' TRP . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 82.5 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.871 0.279 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 HG21 ' HD2' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 31' ' ' TYR . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CG ' HG22 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.449 ' CH2' ' CD1' ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.449 ' CD1' ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.445 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.849 0.271 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG12 ' CG2' ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 31' ' ' TYR . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HE1' ' A' ' 11' ' ' MET . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CG2' HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.416 ' CE2' HD11 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.452 ' HE1' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HG12 ' CG2' ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE2' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 31' ' ' TYR . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.425 HG21 ' CE2' ' A' ' 36' ' ' PHE . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.43 ' CE ' ' OH ' ' A' ' 31' ' ' TYR . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.685 0.202 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' HD2' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 31' ' ' TYR . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.449 ' HE1' ' CE1' ' A' ' 36' ' ' PHE . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.886 0.286 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CZ2' ' A' ' 48' ' ' TRP . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CG2' ' A' ' 44' ' ' ILE . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG1' ' HE2' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' HE1' ' A' ' 11' ' ' MET . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.417 ' CE2' ' HD3' ' A' ' 8' ' ' LYS . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.43 HG21 ' CE2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.447 ' HE3' ' CG2' ' A' ' 32' ' ' VAL . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.928 0.303 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 25' ' ' GLU . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' PHE . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 32' ' ' VAL . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 44' ' ' ILE . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.453 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.887 0.375 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 36' ' ' PHE . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.449 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.263 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' CE ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' CG2' ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 ' HA ' ' CE ' ' A' ' 38' ' ' MET . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' PHE . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD2' HG12 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 ' CG2' HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.859 0.362 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 HG22 ' CG ' ' A' ' 36' ' ' PHE . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.439 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.783 0.243 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' GLU . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 31' ' ' TYR . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CG ' HG22 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.438 HG22 ' CG ' ' A' ' 36' ' ' PHE . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.843 0.268 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' CG2' ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' CE1' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 11' ' ' MET . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.419 ' CG2' HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CZ2' HD22 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD22 ' CZ2' ' A' ' 50' ' ' TRP . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' OH ' ' A' ' 31' ' ' TYR . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.776 0.24 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE2' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' CG2' ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG23 ' A' ' 7' ' ' ILE . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.422 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.436 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.458 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.884 0.285 . . . . 0.0 112.441 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' HD2' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.47 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.866 0.365 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' CG ' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.424 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 31' ' ' TYR . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' HG22 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.455 ' CG2' ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.742 0.226 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CE2' ' HE1' ' A' ' 11' ' ' MET . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CG ' ' CG2' ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.425 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.428 ' HE1' ' CZ ' ' A' ' 31' ' ' TYR . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.853 0.272 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CG ' HG22 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE2' HD11 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.405 HD11 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.426 HG22 ' CG ' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.465 ' HE1' ' CZ ' ' A' ' 31' ' ' TYR . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.79 0.246 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 ' HD2' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' PHE . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.11 -44.7 0.39 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -169.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.1 -37.06 78.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.77 -42.99 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.048 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.429 HG21 ' CE2' ' A' ' 36' ' ' PHE . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.494 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -38.68 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.08 86.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.3 t -64.67 -37.48 87.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 mm -66.44 -43.06 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -70.06 -32.77 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -91.8 14.06 16.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.04 73.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.529 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.62 -172.76 20.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 p -166.72 148.58 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.775 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HG ' ' CE2' ' A' ' 31' ' ' TYR . 5.4 mp -112.93 133.39 21.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.9 132.52 50.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.29 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HE2' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.422 ' CG2' ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' O ' HG13 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 44' ' ' ILE . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.494 ' CE1' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 31' ' ' TYR . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CE2' HG21 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.404 ' CE ' ' CD2' ' A' ' 47' ' ' LEU . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.23 58.53 2.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.613 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 134.77 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.11 -37.34 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.93 -43.06 86.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.444 HG22 ' CG ' ' A' ' 36' ' ' PHE . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.565 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.87 -44.33 91.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.41 86.6 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.76 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.952 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 11' ' ' MET . 2.6 mt -63.71 -43.17 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.09 -36.02 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -94.47 14.11 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.06 -68.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.29 -80.01 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.58 170.4 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 31' ' ' TYR . 16.9 mt -101.64 165.46 13.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo -50.36 125.13 14.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.573 2.182 . . . . 0.0 112.434 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 25' ' ' GLU . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 28' ' ' PHE . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.613 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.475 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CZ2' HD11 ' A' ' 54' ' ' LEU . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD11 ' CZ2' ' A' ' 50' ' ' TRP . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.95 160.82 8.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -91.59 147.13 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.18 -28.7 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -62.06 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.434 HG22 ' CG ' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -60.85 -40.85 94.46 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.84 88.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.884 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -35.88 78.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 11' ' ' MET . 1.6 mt -66.93 -43.07 89.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.374 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -67.94 -31.18 70.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.71 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -92.67 14.05 18.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.36 69.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.678 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.15 -162.9 9.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.341 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.7 p -178.31 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.711 0.291 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.7 mt 74.23 146.02 0.11 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.668 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo -56.43 171.51 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.584 2.189 . . . . 0.0 112.371 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.415 HG21 ' HD2' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 ' CE2' ' A' ' 31' ' ' TYR . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CG ' HG22 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.76 -97.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -137.1 157.08 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.17 -26.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.61 -43.3 85.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.428 HG21 ' CE2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 50' ' ' TRP . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.473 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.9 -39.12 90.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.1 86.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.202 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.249 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 11' ' ' MET . 4.7 mt -67.02 -43.32 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.355 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.17 -29.12 68.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -92.4 14.07 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.292 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 58.21 0.87 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.0 169.74 25.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -148.55 158.83 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.5 mt -116.61 147.61 40.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo -52.68 170.46 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.556 2.171 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 51' ' ' ARG . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HG12 ' CG2' ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 HG21 ' CE1' ' A' ' 31' ' ' TYR . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.43 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.38 130.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.46 161.41 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.23 -26.87 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.528 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -58.6 -45.51 88.95 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.14 86.76 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.5 m -64.13 -35.45 80.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.981 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 11' ' ' MET . 1.5 mt -63.54 -43.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.658 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -97.69 14.13 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.01 -73.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.569 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.33 -111.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.568 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -101.54 -178.82 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.984 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.72 165.89 22.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo -48.53 122.37 7.74 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.653 2.235 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.505 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 28' ' ' PHE . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' CG ' HG22 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' TRP . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.91 28.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.31 143.34 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 73.3 t -67.07 -32.67 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.56 -43.2 99.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.519 ' O ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -44.58 94.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.86 85.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.957 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -66.58 -35.93 81.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 11' ' ' MET . 2.9 mt -64.19 -43.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.326 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.28 -36.05 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -99.46 14.13 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.374 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.92 -69.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.567 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.59 -76.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.599 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -146.87 166.83 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 16.3 mt -101.8 164.78 15.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.73 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 82.5 Cg_exo -46.36 116.11 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.603 2.202 . . . . 0.0 112.5 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 HG21 ' HD2' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG21 ' CD2' ' A' ' 31' ' ' TYR . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.558 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CG ' HG22 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.449 ' CH2' ' CD1' ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.449 ' CD1' ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.49 -90.27 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -104.66 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 47' ' ' LEU . 1.3 p -67.07 -37.47 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.43 -43.04 88.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.803 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.445 ' HE1' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -38.99 91.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.17 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.387 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -61.54 -35.95 79.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.125 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.7 mm -70.06 -43.42 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.494 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.35 -28.96 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.798 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 14.01 16.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 53.19 0.86 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.11 -175.01 15.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.9 m -173.02 113.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 mt -87.53 161.24 45.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo -59.08 166.42 7.15 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG12 ' CG2' ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE1' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 31' ' ' TYR . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' CE2' ' HE1' ' A' ' 11' ' ' MET . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CG2' HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.416 ' CE2' HD11 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.61 172.78 44.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -168.11 169.06 11.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.2 -37.25 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.188 0.518 . . . . 0.0 110.722 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.84 -38.02 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.741 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.433 HG21 ' CE1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.461 ' O ' HG13 ' A' ' 15' ' ' ILE . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -39.8 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.06 88.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -61.03 -39.17 88.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.096 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 11' ' ' MET . 4.1 mt -66.57 -43.28 90.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.247 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.92 -26.45 65.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -90.9 14.06 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 34.95 4.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.55 -172.33 22.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -164.28 139.86 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' CZ ' ' A' ' 31' ' ' TYR . 7.3 mp -106.25 146.08 32.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo -53.36 174.72 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.531 2.154 . . . . 0.0 112.23 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HG12 ' CG2' ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CE2' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 HG21 ' CE2' ' A' ' 31' ' ' TYR . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CE1' HG21 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG2' HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.33 49.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 153.0 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.02 -37.51 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.114 0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.425 HG21 ' CE2' ' A' ' 36' ' ' PHE . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.43 ' CE ' ' OH ' ' A' ' 31' ' ' TYR . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.58 91.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.11 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.328 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.2 m -62.06 -37.98 87.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.029 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 mm -63.99 -43.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.767 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -91.99 14.09 16.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.311 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.83 73.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.47 -173.17 21.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.4 m -167.61 146.71 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.785 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD21 ' CZ ' ' A' ' 31' ' ' TYR . 20.6 mt -111.47 138.79 21.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo -53.23 135.37 59.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.62 2.213 . . . . 0.0 112.124 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 HG21 ' HD2' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 HG12 ' CG2' ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 31' ' ' TYR . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.425 ' CE2' HG21 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CG2' HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.84 61.71 3.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -109.66 162.38 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.07 -33.9 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -43.25 89.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.435 HG22 ' CG ' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.483 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -58.73 -43.48 90.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.51 98.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.84 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 11' ' ' MET . 2.2 mt -63.92 -43.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.298 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.5 -32.61 71.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -99.72 14.11 31.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.273 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.51 -75.11 0.02 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.568 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.18 -168.74 41.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.16 163.63 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 HD21 ' CE1' ' A' ' 31' ' ' TYR . 14.4 mt -100.54 166.36 12.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 119.51 5.89 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.579 2.186 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' O ' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.416 ' HB2' ' CZ2' ' A' ' 48' ' ' TRP . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CG2' ' A' ' 44' ' ' ILE . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CE1' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG1' ' HE2' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE1' ' HE1' ' A' ' 11' ' ' MET . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.416 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.417 ' CE2' ' HD3' ' A' ' 8' ' ' LYS . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.25 143.88 13.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -170.89 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG2' ' CD2' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -67.02 -37.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.53 -41.92 81.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.549 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.43 HG21 ' CE2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.494 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.49 86.1 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.17 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -63.49 -35.62 81.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.009 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 11' ' ' MET . 1.6 mt -63.88 -43.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.211 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -34.87 75.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.572 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -100.1 14.09 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.75 -74.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.68 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.57 178.44 39.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -54.71 166.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.373 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.8 mt -94.2 166.03 16.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo -52.14 111.87 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.556 2.171 . . . . 0.0 112.47 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.472 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.475 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 25' ' ' GLU . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 28' ' ' PHE . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CD1' HG11 ' A' ' 32' ' ' VAL . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HE3' ' HA ' ' A' ' 44' ' ' ILE . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.453 ' HA ' ' HE3' ' A' ' 38' ' ' MET . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.475 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.19 45.36 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -87.87 141.07 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.8 t -67.05 -28.59 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.86 -43.28 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.746 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.434 HG12 ' CD2' ' A' ' 36' ' ' PHE . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.459 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.76 -41.24 97.42 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.82 86.9 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.9 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -37.24 82.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.099 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 11' ' ' MET . 2.3 mt -65.53 -43.13 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.265 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.56 -32.03 72.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.91 14.09 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.71 73.9 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.582 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.54 -159.73 8.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.4 mt 66.34 140.65 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.68 164.1 3.41 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.512 2.142 . . . . 0.0 112.439 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' CE ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' CG2' ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 ' HA ' ' CE ' ' A' ' 38' ' ' MET . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 28' ' ' PHE . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.434 ' CD2' HG12 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.439 ' CE ' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 ' CG2' HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.79 -82.54 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.585 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.13 160.75 36.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 37.2 t -64.53 -33.25 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.649 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.54 -43.17 97.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 HG22 ' CG ' ' A' ' 36' ' ' PHE . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.439 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.84 -47.09 79.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -62.74 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 15' ' ' ILE . 9.2 mm -69.08 -43.48 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.382 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -67.61 -27.67 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.682 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.32 14.03 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.55 2.26 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.594 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.86 -176.67 22.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -158.87 125.29 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HG ' ' CE2' ' A' ' 31' ' ' TYR . 5.5 mp -99.2 143.65 26.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.73 165.78 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.51 2.14 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 25' ' ' GLU . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 31' ' ' TYR . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.45 ' CG ' HG22 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.422 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.67 -163.26 17.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.18 -27.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.01 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.438 HG22 ' CG ' ' A' ' 36' ' ' PHE . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -61.81 -39.1 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.96 86.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.04 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -61.44 -37.11 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.142 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 11' ' ' MET . 3.1 mt -68.26 -43.37 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -31.62 70.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 14.16 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.1 68.44 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.45 175.48 20.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 p -159.58 130.27 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' ' CZ ' ' A' ' 31' ' ' TYR . 2.6 mm? -108.32 153.64 41.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.4 Cg_exo -54.44 170.26 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 112.488 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' CG2' ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE2' ' CE ' ' A' ' 11' ' ' MET . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 ' CG2' HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CZ2' HD22 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD22 ' CZ2' ' A' ' 50' ' ' TRP . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.12 -50.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -125.58 -178.72 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 77.9 t -66.98 -30.29 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -67.35 -43.2 82.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' OH ' ' A' ' 31' ' ' TYR . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -60.59 -44.07 96.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.28 87.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.072 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -35.75 81.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.094 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 11' ' ' MET . 1.4 mt -63.85 -43.05 97.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.44 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -35.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.824 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -97.86 14.07 28.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.18 -73.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.64 -72.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.43 161.65 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.13 158.79 46.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.2 122.71 10.53 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE2' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' CG2' ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 48' ' ' TRP . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 HG23 ' A' ' 7' ' ' ILE . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.422 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.418 ' CH2' HD12 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD12 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.33 -147.66 18.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.429 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -110.65 165.02 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' CG1' ' CD2' ' A' ' 47' ' ' LEU . 79.8 t -67.1 -29.42 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.13 -43.37 95.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.436 HG21 ' CE2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.458 ' HE1' ' CE1' ' A' ' 31' ' ' TYR . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -60.82 -40.3 92.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.0 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.206 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.304 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 11' ' ' MET . 3.1 mt -64.4 -43.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.457 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -27.88 66.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 14.1 16.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.89 65.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.91 -168.63 11.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.97 133.17 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' CE2' ' A' ' 31' ' ' TYR . 6.3 mp -106.7 143.62 27.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo -53.31 162.1 3.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' HD2' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.47 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.474 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.98 -147.96 14.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -138.61 176.96 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.08 -27.04 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -43.45 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.448 HG22 ' CG ' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.504 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -45.1 90.42 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.34 88.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -63.87 -35.71 81.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.012 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 11' ' ' MET . 2.0 mt -63.78 -43.13 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.04 -36.09 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -96.08 14.06 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.77 -71.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.97 -63.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.592 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -176.71 169.45 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 22' ' ' PRO . 4.4 mt -91.12 172.41 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.482 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 70.8 Cg_exo -51.38 168.17 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.361 2.04 . . . . 0.0 112.041 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.446 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 31' ' ' TYR . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' CG ' HG22 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.55 -160.82 14.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m 63.53 126.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.415 ' CG2' ' CD2' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -67.17 -37.28 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 0.0 110.709 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -40.84 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.455 ' CG2' ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HE1' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.63 -36.88 84.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.21 77.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -63.8 -40.64 97.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.319 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 15' ' ' ILE . 6.2 mm -67.78 -43.18 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.22 -30.56 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -92.31 14.1 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.28 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.46 71.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.54 173.99 29.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.542 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 133.51 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' HG ' ' CE2' ' A' ' 31' ' ' TYR . 10.0 mp -93.37 163.42 24.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.35 176.58 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.571 2.181 . . . . 0.0 112.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.455 ' CG ' ' CG2' ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.425 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.91 134.86 11.55 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.43 154.72 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.6 t -65.52 -35.8 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -43.32 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.703 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.462 ' O ' HG13 ' A' ' 15' ' ' ILE . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.39 -40.88 92.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.51 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.799 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -61.04 -36.14 78.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.902 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 11' ' ' MET . 2.5 mt -64.54 -43.23 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.177 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.09 -28.78 65.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.56 14.07 14.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.48 57.91 0.66 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.62 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.17 -157.01 9.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t 179.39 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.407 HD21 ' CZ ' ' A' ' 31' ' ' TYR . 23.9 mt 65.57 151.56 0.12 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.72 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo -60.37 172.77 2.36 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.207 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 51' ' ' ARG . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.468 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 31' ' ' TYR . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' CG ' HG22 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' CG2' HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.405 ' CE2' HD11 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.405 HD11 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.82 -159.53 26.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.35 175.49 10.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' CG2' HD22 ' A' ' 47' ' ' LEU . 1.3 p -67.01 -37.54 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.059 0.457 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.91 -41.01 81.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.426 HG22 ' CG ' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.481 ' O ' HG13 ' A' ' 15' ' ' ILE . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -45.11 90.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.7 89.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.673 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -64.42 -35.67 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.982 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 11' ' ' MET . 1.8 mt -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.365 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.97 -35.99 74.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 14.05 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.73 -60.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.81 -82.29 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -145.51 -176.65 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.1 mt -119.34 161.99 34.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.72 117.42 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.675 2.25 . . . . 0.0 112.443 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' HD2' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.46 HG21 ' HD2' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.465 ' CZ ' ' HE1' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 28' ' ' PHE . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.456 ' CE1' ' CE ' ' A' ' 11' ' ' MET . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.776 HG23 ' CD2' ' A' ' 36' ' ' PHE . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.706 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.74 0.225 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.533 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 25' ' ' GLU . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 11' ' ' MET . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CD2' HG23 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.926 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.926 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' HG11 ' A' ' 32' ' ' VAL . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.841 HG23 ' CD2' ' A' ' 36' ' ' PHE . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.778 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo . . . . . 0 N--CA 1.467 -0.083 0 CA-C-O 120.867 0.278 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.708 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG23 ' CE ' ' A' ' 23' ' ' LYS . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.875 HD12 HG23 ' A' ' 44' ' ' ILE . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.778 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.587 ' HG3' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.875 HG23 HD12 ' A' ' 29' ' ' ILE . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.434 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.922 0.391 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.805 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.792 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG23 ' CE ' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 29' ' ' ILE . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.805 HG22 ' HE1' ' A' ' 11' ' ' MET . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.789 ' CD2' HG23 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.561 ' HG3' HD13 ' A' ' 7' ' ' ILE . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.472 HG22 ' CG ' ' A' ' 33' ' ' LYS . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 50' ' ' TRP . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.81 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HE2' ' CG ' ' A' ' 50' ' ' TRP . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.788 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.846 0.269 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.658 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 23' ' ' LYS . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.766 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.81 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 7' ' ' ILE . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 39' ' ' THR . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.917 0.389 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.769 HG22 ' SD ' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.769 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.83 0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.9 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.9 HG23 ' HE2' ' A' ' 23' ' ' LYS . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG22 ' CE ' ' A' ' 11' ' ' MET . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.736 ' CG ' HG23 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 7' ' ' ILE . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 29' ' ' ILE . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' TRP . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.742 HG23 ' CD2' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.654 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 82.5 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.871 0.279 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' HE3' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.573 HG22 ' HD3' ' A' ' 33' ' ' LYS . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' HD3' HG22 ' A' ' 29' ' ' ILE . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.742 ' CD2' HG23 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.463 ' HB2' HG12 ' A' ' 32' ' ' VAL . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 29' ' ' ILE . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.587 HD12 ' CE ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CH2' HD11 ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD1' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.793 ' HE3' HG13 ' A' ' 32' ' ' VAL . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.849 0.271 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HD2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.654 HG23 ' HD2' ' A' ' 23' ' ' LYS . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.793 HG13 ' HE3' ' A' ' 11' ' ' MET . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD1' HG23 ' A' ' 7' ' ' ILE . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.846 HG23 ' CD1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.844 ' HE3' HG13 ' A' ' 32' ' ' VAL . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.922 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.922 HG23 ' CE ' ' A' ' 23' ' ' LYS . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 HG23 ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.844 HG13 ' HE3' ' A' ' 11' ' ' MET . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.485 ' CG ' HD13 ' A' ' 7' ' ' ILE . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 39' ' ' THR . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE2' HD13 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 36' ' ' PHE . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HZ3' HD22 ' A' ' 47' ' ' LEU . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.685 0.202 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.762 HG23 ' CE ' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.828 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.781 ' CD2' HG23 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' PHE . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.752 HG23 HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD22 ' HZ3' ' A' ' 8' ' ' LYS . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.888 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.886 0.286 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' ' 29' ' ' ILE . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 25' ' ' GLU . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.828 HG13 ' HE3' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.888 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 ' NZ ' ' A' ' 33' ' ' LYS . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.827 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.928 0.303 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.488 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 44' ' ' ILE . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.827 HG13 ' HE3' ' A' ' 11' ' ' MET . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.836 ' CD2' HG23 ' A' ' 7' ' ' ILE . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.582 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ARG . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.846 HG23 HD12 ' A' ' 29' ' ' ILE . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.887 0.375 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.787 HG22 ' SD ' ' A' ' 11' ' ' MET . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.872 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.263 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.727 ' CE ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG22 ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.578 HG12 HG23 ' A' ' 44' ' ' ILE . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 11' ' ' MET . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.754 ' CD2' HG23 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.578 HG23 HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.859 0.362 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.761 HG22 ' SD ' ' A' ' 11' ' ' MET . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.761 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.783 0.243 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.87 HG23 ' HE2' ' A' ' 23' ' ' LYS . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HG23 ' A' ' 44' ' ' ILE . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG22 ' HE1' ' A' ' 11' ' ' MET . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 29' ' ' ILE . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.775 HG22 ' SD ' ' A' ' 11' ' ' MET . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.775 ' SD ' HG22 ' A' ' 7' ' ' ILE . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 51.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.843 0.268 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.937 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.937 HG23 ' CE ' ' A' ' 23' ' ' LYS . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.703 HG12 HG23 ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.764 ' CD1' HG23 ' A' ' 7' ' ' ILE . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' HD13 ' A' ' 7' ' ' ILE . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.732 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' GLN . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 51' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.672 HG23 ' CG ' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.788 ' HE1' HD12 ' A' ' 47' ' ' LEU . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.776 0.24 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.584 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 29' ' ' ILE . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 26' ' ' ALA . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 28' ' ' PHE . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CG ' HG23 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.614 ' HB2' HG12 ' A' ' 32' ' ' VAL . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 29' ' ' ILE . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.707 ' CH2' HD11 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.707 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.791 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.884 0.285 . . . . 0.0 112.441 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.647 HG23 ' CE ' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 25' ' ' GLU . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.831 ' CD2' HG23 ' A' ' 7' ' ' ILE . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 7' ' ' ILE . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.866 0.365 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.855 HG23 ' CD1' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 70.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.041 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.875 HG23 ' HE2' ' A' ' 23' ' ' LYS . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.824 HG13 ' HE3' ' A' ' 11' ' ' MET . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD2' HG22 ' A' ' 39' ' ' THR . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.855 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' SD ' HD13 ' A' ' 7' ' ' ILE . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 33' ' ' LYS . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.546 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.828 HG23 ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.666 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.742 0.226 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.829 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' HE3' ' A' ' 23' ' ' LYS . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' ' 29' ' ' ILE . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.834 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 28' ' ' PHE . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.828 ' CG ' HG23 ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.491 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' HG12 ' A' ' 29' ' ' ILE . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 43' ' ' ALA . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.601 ' CZ3' HD22 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.797 HG23 ' CD1' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.833 ' HE1' HG22 ' A' ' 32' ' ' VAL . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.853 0.272 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.886 HG23 ' HE2' ' A' ' 23' ' ' LYS . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.72 HG12 HG23 ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.486 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.759 ' HD2' HG23 ' A' ' 39' ' ' THR . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.797 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.539 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.72 HG23 HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD2' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.79 0.246 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.83 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CE ' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.64 ' HB2' HG12 ' A' ' 32' ' ' VAL . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.424 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.11 -44.7 0.39 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -169.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.863 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.4 p -67.1 -37.06 78.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.77 -42.99 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.048 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 4' ' ' VAL . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.706 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -65.0 -38.68 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.08 86.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.3 t -64.67 -37.48 87.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 21' ' ' LEU . 2.9 mm -66.44 -43.06 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -70.06 -32.77 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -91.8 14.06 16.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.04 73.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.529 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.62 -172.76 20.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.546 ' N ' HD13 ' A' ' 15' ' ' ILE . 3.8 p -166.72 148.58 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.775 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 15' ' ' ILE . 5.4 mp -112.93 133.39 21.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.9 132.52 50.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.29 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.533 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 25' ' ' GLU . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 11' ' ' MET . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CD2' HG23 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.926 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.926 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' HG11 ' A' ' 32' ' ' VAL . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.23 58.53 2.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.613 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 134.77 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.944 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.2 p -67.11 -37.34 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.93 -43.06 86.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 4' ' ' VAL . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.778 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.87 -44.33 91.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.41 86.6 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.76 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.952 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.823 HD12 HD11 ' A' ' 54' ' ' LEU . 2.6 mt -63.71 -43.17 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.09 -36.02 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -94.47 14.11 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.06 -68.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.29 -80.01 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.58 170.4 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD22 ' CE2' ' A' ' 31' ' ' TYR . 16.9 mt -101.64 165.46 13.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo -50.36 125.13 14.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.573 2.182 . . . . 0.0 112.434 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.708 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG23 ' CE ' ' A' ' 23' ' ' LYS . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.875 HD12 HG23 ' A' ' 44' ' ' ILE . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.644 ' CE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.778 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.587 ' HG3' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.875 HG23 HD12 ' A' ' 29' ' ' ILE . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.434 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 15' ' ' ILE . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.95 160.82 8.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -91.59 147.13 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 47' ' ' LEU . 62.3 t -67.18 -28.7 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -62.06 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD2' HG12 ' A' ' 4' ' ' VAL . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.805 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -60.85 -40.85 94.46 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.84 88.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.884 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -35.88 78.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.6 mt -66.93 -43.07 89.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.374 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -67.94 -31.18 70.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.71 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -92.67 14.05 18.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.36 69.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.678 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 15' ' ' ILE . . . -141.15 -162.9 9.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.341 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.7 p -178.31 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.711 0.291 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 15' ' ' ILE . 13.7 mt 74.23 146.02 0.11 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.668 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo -56.43 171.51 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.584 2.189 . . . . 0.0 112.371 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.792 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG23 ' CE ' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 29' ' ' ILE . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.805 HG22 ' HE1' ' A' ' 11' ' ' MET . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.789 ' CD2' HG23 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.561 ' HG3' HD13 ' A' ' 7' ' ' ILE . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.472 HG22 ' CG ' ' A' ' 33' ' ' LYS . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.683 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 50' ' ' TRP . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.76 -97.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -137.1 157.08 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.756 HG13 ' CD2' ' A' ' 47' ' ' LEU . 51.4 t -67.17 -26.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.61 -43.3 85.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.81 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HD2' HG12 ' A' ' 4' ' ' VAL . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.788 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.9 -39.12 90.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.1 86.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.202 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.249 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.896 HD11 ' HG ' ' A' ' 21' ' ' LEU . 4.7 mt -67.02 -43.32 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.355 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.17 -29.12 68.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -92.4 14.07 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.292 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 58.21 0.87 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.0 169.74 25.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -148.55 158.83 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.896 ' HG ' HD11 ' A' ' 15' ' ' ILE . 14.5 mt -116.61 147.61 40.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo -52.68 170.46 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.556 2.171 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.658 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 23' ' ' LYS . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' OH ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.766 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.81 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 7' ' ' ILE . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 39' ' ' THR . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.756 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.38 130.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.46 161.41 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG13 HD21 ' A' ' 47' ' ' LEU . 55.0 t -67.23 -26.87 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.769 HG22 ' SD ' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.769 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -58.6 -45.51 88.95 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.14 86.76 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.5 m -64.13 -35.45 80.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.981 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 19' ' ' GLY . 1.5 mt -63.54 -43.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.658 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -97.69 14.13 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.01 -73.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.569 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' ILE . . . 163.33 -111.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.568 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.6 m -101.54 -178.82 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.984 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 15' ' ' ILE . 3.3 mp -124.72 165.89 22.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo -48.53 122.37 7.74 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.653 2.235 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.9 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.9 HG23 ' HE2' ' A' ' 23' ' ' LYS . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG22 ' CE ' ' A' ' 11' ' ' MET . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.736 ' CG ' HG23 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 7' ' ' ILE . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 29' ' ' ILE . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD21 HG13 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 15' ' ' ILE . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.91 28.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.31 143.34 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 47' ' ' LEU . 73.3 t -67.07 -32.67 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.56 -43.2 99.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.742 HG23 ' CD2' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.654 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -44.58 94.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.86 85.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.957 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -66.58 -35.93 81.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.9 mt -64.19 -43.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.326 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.28 -36.05 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -99.46 14.13 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.374 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.92 -69.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.567 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.59 -76.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.599 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -146.87 166.83 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HG ' HD11 ' A' ' 15' ' ' ILE . 16.3 mt -101.8 164.78 15.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.73 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 82.5 Cg_exo -46.36 116.11 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.603 2.202 . . . . 0.0 112.5 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' HE3' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG22 ' HD3' ' A' ' 33' ' ' LYS . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' HD3' HG22 ' A' ' 29' ' ' ILE . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.742 ' CD2' HG23 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.463 ' HB2' HG12 ' A' ' 32' ' ' VAL . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 29' ' ' ILE . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CH2' HD11 ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.49 -90.27 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -104.66 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.793 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.3 p -67.07 -37.47 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.43 -43.04 88.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.803 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD1' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.793 ' HE3' HG13 ' A' ' 32' ' ' VAL . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -38.99 91.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.17 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.387 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -61.54 -35.95 79.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.125 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 21' ' ' LEU . 5.7 mm -70.06 -43.42 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.494 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.35 -28.96 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.798 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 14.01 16.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 53.19 0.86 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -120.11 -175.01 15.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.54 ' N ' HD13 ' A' ' 15' ' ' ILE . 4.9 m -173.02 113.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 15' ' ' ILE . 10.0 mt -87.53 161.24 45.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo -59.08 166.42 7.15 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HD2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.654 HG23 ' HD2' ' A' ' 23' ' ' LYS . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.793 HG13 ' HE3' ' A' ' 11' ' ' MET . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD1' HG23 ' A' ' 7' ' ' ILE . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.61 172.78 44.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -168.11 169.06 11.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 1.4 p -67.2 -37.25 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.188 0.518 . . . . 0.0 110.722 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.84 -38.02 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.741 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.846 HG23 ' CD1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.844 ' HE3' HG13 ' A' ' 32' ' ' VAL . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -39.8 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.06 88.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -61.03 -39.17 88.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.096 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.131 HD11 HD13 ' A' ' 21' ' ' LEU . 4.1 mt -66.57 -43.28 90.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.247 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.92 -26.45 65.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -90.9 14.06 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 34.95 4.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.55 -172.33 22.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -164.28 139.86 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.131 HD13 HD11 ' A' ' 15' ' ' ILE . 7.3 mp -106.25 146.08 32.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo -53.36 174.72 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.531 2.154 . . . . 0.0 112.23 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.922 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.922 HG23 ' CE ' ' A' ' 23' ' ' LYS . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 HG23 ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.844 HG13 ' HE3' ' A' ' 11' ' ' MET . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.485 ' CG ' HD13 ' A' ' 7' ' ' ILE . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 39' ' ' THR . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD21 HG22 ' A' ' 4' ' ' VAL . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE2' HD13 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.33 49.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 153.0 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.802 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.2 p -67.02 -37.51 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.114 0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 4' ' ' VAL . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HZ3' HD22 ' A' ' 47' ' ' LEU . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.58 91.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.11 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.328 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.2 m -62.06 -37.98 87.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.029 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.585 HD11 ' HG ' ' A' ' 21' ' ' LEU . 3.7 mm -63.99 -43.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.767 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -91.99 14.09 16.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.311 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.83 73.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.47 -173.17 21.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.566 ' N ' HD13 ' A' ' 15' ' ' ILE . 39.4 m -167.61 146.71 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.785 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HG ' HD11 ' A' ' 15' ' ' ILE . 20.6 mt -111.47 138.79 21.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo -53.23 135.37 59.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.62 2.213 . . . . 0.0 112.124 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.762 HG23 ' CE ' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.828 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.781 ' CD2' HG23 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' PHE . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.752 HG23 HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD22 ' HZ3' ' A' ' 8' ' ' LYS . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.84 61.71 3.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -109.66 162.38 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG13 HD21 ' A' ' 47' ' ' LEU . 54.3 t -67.07 -33.9 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -43.25 89.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.888 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -58.73 -43.48 90.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.51 98.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.84 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.2 mt -63.92 -43.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.298 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.5 -32.61 71.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -99.72 14.11 31.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.273 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.51 -75.11 0.02 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.568 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.18 -168.74 41.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.16 163.63 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 31' ' ' TYR . 14.4 mt -100.54 166.36 12.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 119.51 5.89 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.579 2.186 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' ' 29' ' ' ILE . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 25' ' ' GLU . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.828 HG13 ' HE3' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.888 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 ' NZ ' ' A' ' 33' ' ' LYS . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD21 HG13 ' A' ' 4' ' ' VAL . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.25 143.88 13.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -170.89 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -67.02 -37.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.53 -41.92 81.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.549 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.827 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.49 86.1 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.17 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -63.49 -35.62 81.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.009 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.6 mt -63.88 -43.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.211 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -34.87 75.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.572 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -100.1 14.09 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.75 -74.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.68 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.57 178.44 39.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -54.71 166.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.373 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' A' ' 15' ' ' ILE . 6.8 mt -94.2 166.03 16.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo -52.14 111.87 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.556 2.171 . . . . 0.0 112.47 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.488 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 44' ' ' ILE . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.827 HG13 ' HE3' ' A' ' 11' ' ' MET . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.836 ' CD2' HG23 ' A' ' 7' ' ' ILE . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.582 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ARG . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.846 HG23 HD12 ' A' ' 29' ' ' ILE . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 4' ' ' VAL . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.19 45.36 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -87.87 141.07 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 47' ' ' LEU . 69.8 t -67.05 -28.59 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.86 -43.28 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.746 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.787 HG22 ' SD ' ' A' ' 11' ' ' MET . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HE3' HG12 ' A' ' 4' ' ' VAL . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.872 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.76 -41.24 97.42 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.82 86.9 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.9 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -37.24 82.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.099 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 11' ' ' MET . 2.3 mt -65.53 -43.13 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.265 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.56 -32.03 72.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.91 14.09 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.71 73.9 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.582 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.54 -159.73 8.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 15' ' ' ILE . 17.4 mt 66.34 140.65 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.68 164.1 3.41 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.512 2.142 . . . . 0.0 112.439 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.727 ' CE ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG22 ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.578 HG12 HG23 ' A' ' 44' ' ' ILE . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 11' ' ' MET . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.754 ' CD2' HG23 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.578 HG23 HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 4' ' ' VAL . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.79 -82.54 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.585 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.13 160.75 36.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.802 HG13 HD21 ' A' ' 47' ' ' LEU . 37.2 t -64.53 -33.25 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.649 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.54 -43.17 97.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 4' ' ' VAL . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.542 ' HD2' HG12 ' A' ' 4' ' ' VAL . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.761 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.84 -47.09 79.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -62.74 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.103 HD11 HD13 ' A' ' 21' ' ' LEU . 9.2 mm -69.08 -43.48 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.382 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -67.61 -27.67 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.682 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.32 14.03 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.55 2.26 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.594 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.86 -176.67 22.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 80.8 p -158.87 125.29 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 15' ' ' ILE . 5.5 mp -99.2 143.65 26.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.73 165.78 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.51 2.14 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.87 HG23 ' HE2' ' A' ' 23' ' ' LYS . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HG23 ' A' ' 44' ' ' ILE . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG22 ' HE1' ' A' ' 11' ' ' MET . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 29' ' ' ILE . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD21 HG13 ' A' ' 4' ' ' VAL . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.67 -163.26 17.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 47' ' ' LEU . 54.0 t -67.18 -27.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.01 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.775 HG22 ' SD ' ' A' ' 11' ' ' MET . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.775 ' SD ' HG22 ' A' ' 7' ' ' ILE . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -61.81 -39.1 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.96 86.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.04 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -61.44 -37.11 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.142 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.024 HD11 HD23 ' A' ' 21' ' ' LEU . 3.1 mt -68.26 -43.37 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -31.62 70.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 14.16 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.1 68.44 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.45 175.48 20.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 p -159.58 130.27 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.024 HD23 HD11 ' A' ' 15' ' ' ILE . 2.6 mm? -108.32 153.64 41.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 51.4 Cg_exo -54.44 170.26 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 112.488 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.937 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.937 HG23 ' CE ' ' A' ' 23' ' ' LYS . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.703 HG12 HG23 ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.813 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.764 ' CD1' HG23 ' A' ' 7' ' ' ILE . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' HD13 ' A' ' 7' ' ' ILE . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.732 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' GLN . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 51' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.12 -50.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -125.58 -178.72 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 47' ' ' LEU . 77.9 t -66.98 -30.29 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -67.35 -43.2 82.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.672 HG23 ' CG ' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.788 ' HE1' HD12 ' A' ' 47' ' ' LEU . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -60.59 -44.07 96.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.28 87.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.072 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -35.75 81.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.094 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.4 mt -63.85 -43.05 97.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.44 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -35.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.824 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -97.86 14.07 28.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.18 -73.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.64 -72.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.43 161.65 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 15' ' ' ILE . 12.7 mt -89.13 158.79 46.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.2 122.71 10.53 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.584 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 29' ' ' ILE . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 26' ' ' ALA . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 28' ' ' PHE . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CG ' HG23 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.614 ' HB2' HG12 ' A' ' 32' ' ' VAL . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 29' ' ' ILE . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.707 ' CH2' HD11 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.707 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.33 -147.66 18.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.429 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -110.65 165.02 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.74 HG13 ' CD2' ' A' ' 47' ' ' LEU . 79.8 t -67.1 -29.42 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.13 -43.37 95.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 4' ' ' VAL . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.791 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -60.82 -40.3 92.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.0 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.206 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.304 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mt -64.4 -43.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.457 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -27.88 66.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 14.1 16.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.89 65.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.91 -168.63 11.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.97 133.17 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.864 HD13 HD11 ' A' ' 15' ' ' ILE . 6.3 mp -106.7 143.62 27.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo -53.31 162.1 3.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.647 HG23 ' CE ' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 25' ' ' GLU . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.831 ' CD2' HG23 ' A' ' 7' ' ' ILE . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 7' ' ' ILE . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.98 -147.96 14.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -138.61 176.96 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 HD21 ' A' ' 47' ' ' LEU . 53.1 t -67.08 -27.04 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -43.45 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.855 HG23 ' CD1' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -45.1 90.42 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.34 88.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -63.87 -35.71 81.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.012 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.0 mt -63.78 -43.13 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.04 -36.09 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -96.08 14.06 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.77 -71.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.97 -63.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.592 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -176.71 169.45 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 15' ' ' ILE . 4.4 mt -91.12 172.41 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.482 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 70.8 Cg_exo -51.38 168.17 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.361 2.04 . . . . 0.0 112.041 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.875 HG23 ' HE2' ' A' ' 23' ' ' LYS . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.824 HG13 ' HE3' ' A' ' 11' ' ' MET . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD2' HG22 ' A' ' 39' ' ' THR . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.855 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' SD ' HD13 ' A' ' 7' ' ' ILE . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 33' ' ' LYS . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD21 HG13 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 15' ' ' ILE . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.55 -160.82 14.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m 63.53 126.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG22 HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -67.17 -37.28 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 0.0 110.709 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -40.84 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.828 HG23 ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.862 ' HG2' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.63 -36.88 84.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.21 77.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -63.8 -40.64 97.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.319 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 21' ' ' LEU . 6.2 mm -67.78 -43.18 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.22 -30.56 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -92.31 14.1 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.28 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.46 71.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -149.54 173.99 29.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.542 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 133.51 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 15' ' ' ILE . 10.0 mp -93.37 163.42 24.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 31.7 Cg_exo -58.35 176.58 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.571 2.181 . . . . 0.0 112.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.829 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' HE3' ' A' ' 23' ' ' LYS . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' ' 29' ' ' ILE . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.834 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 28' ' ' PHE . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.828 ' CG ' HG23 ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.491 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' HG12 ' A' ' 29' ' ' ILE . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 43' ' ' ALA . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.601 ' CZ3' HD22 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.91 134.86 11.55 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.43 154.72 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 47' ' ' LEU . 76.6 t -65.52 -35.8 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -43.32 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.703 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.797 HG23 ' CD1' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.635 ' CD ' HG12 ' A' ' 4' ' ' VAL . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.833 ' HE1' HG22 ' A' ' 32' ' ' VAL . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.39 -40.88 92.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.51 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.799 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -61.04 -36.14 78.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.902 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 21' ' ' LEU . 2.5 mt -64.54 -43.23 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.177 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.09 -28.78 65.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.56 14.07 14.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.48 57.91 0.66 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.62 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.17 -157.01 9.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t 179.39 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD22 ' CZ ' ' A' ' 31' ' ' TYR . 23.9 mt 65.57 151.56 0.12 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.72 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo -60.37 172.77 2.36 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.207 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.886 HG23 ' HE2' ' A' ' 23' ' ' LYS . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.72 HG12 HG23 ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.759 ' HD2' HG23 ' A' ' 39' ' ' THR . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.797 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.539 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.72 HG23 HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.82 -159.53 26.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.35 175.49 10.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.3 p -67.01 -37.54 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.059 0.457 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.91 -41.01 81.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD2' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -45.11 90.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.7 89.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.673 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -64.42 -35.67 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.982 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 mt -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.365 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.97 -35.99 74.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 14.05 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.73 -60.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.81 -82.29 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -145.51 -176.65 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 15' ' ' ILE . 48.1 mt -119.34 161.99 34.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.72 117.42 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.675 2.25 . . . . 0.0 112.443 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.83 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CE ' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.64 ' HB2' HG12 ' A' ' 32' ' ' VAL . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.424 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.748 0.308 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.776 HG23 ' CD2' ' A' ' 36' ' ' PHE . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.706 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.74 0.225 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.533 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 25' ' ' GLU . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.451 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 11' ' ' MET . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CD2' HG23 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.926 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.926 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' HG11 ' A' ' 32' ' ' VAL . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.841 HG23 ' CD2' ' A' ' 36' ' ' PHE . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.778 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo . . . . . 0 N--CA 1.467 -0.083 0 CA-C-O 120.867 0.278 . . . . 0.0 112.434 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.708 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG23 ' CE ' ' A' ' 23' ' ' LYS . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.875 HD12 HG23 ' A' ' 44' ' ' ILE . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.778 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.587 ' HG3' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.875 HG23 HD12 ' A' ' 29' ' ' ILE . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.434 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.922 0.391 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.805 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.792 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG23 ' CE ' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 29' ' ' ILE . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.805 HG22 ' HE1' ' A' ' 11' ' ' MET . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.789 ' CD2' HG23 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.561 ' HG3' HD13 ' A' ' 7' ' ' ILE . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.472 HG22 ' CG ' ' A' ' 33' ' ' LYS . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 50' ' ' TRP . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.893 0.378 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.81 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HE2' ' CG ' ' A' ' 50' ' ' TRP . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.788 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo . . . . . 0 N--CA 1.465 -0.168 0 CA-C-O 120.846 0.269 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.658 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 23' ' ' LYS . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.766 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.81 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 7' ' ' ILE . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 39' ' ' THR . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.917 0.389 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.769 HG22 ' SD ' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.769 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.83 0.263 . . . . 0.0 112.442 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.9 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.9 HG23 ' HE2' ' A' ' 23' ' ' LYS . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG22 ' CE ' ' A' ' 11' ' ' MET . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.736 ' CG ' HG23 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 7' ' ' ILE . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 29' ' ' ILE . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 50' ' ' TRP . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.742 HG23 ' CD2' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.654 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 82.5 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.871 0.279 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' HE3' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.573 HG22 ' HD3' ' A' ' 33' ' ' LYS . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.573 ' HD3' HG22 ' A' ' 29' ' ' ILE . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.742 ' CD2' HG23 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.463 ' HB2' HG12 ' A' ' 32' ' ' VAL . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 29' ' ' ILE . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.587 HD12 ' CE ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CH2' HD11 ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.618 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.893 0.377 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD1' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.793 ' HE3' HG13 ' A' ' 32' ' ' VAL . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.849 0.271 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HD2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.654 HG23 ' HD2' ' A' ' 23' ' ' LYS . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.793 HG13 ' HE3' ' A' ' 11' ' ' MET . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD1' HG23 ' A' ' 7' ' ' ILE . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.821 0.343 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.846 HG23 ' CD1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.844 ' HE3' HG13 ' A' ' 32' ' ' VAL . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.23 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.922 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.922 HG23 ' CE ' ' A' ' 23' ' ' LYS . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 HG23 ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.844 HG13 ' HE3' ' A' ' 11' ' ' MET . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.485 ' CG ' HD13 ' A' ' 7' ' ' ILE . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 39' ' ' THR . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE2' HD13 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.781 HG23 ' CD2' ' A' ' 36' ' ' PHE . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HZ3' HD22 ' A' ' 47' ' ' LEU . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.685 0.202 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.762 HG23 ' CE ' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.828 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.781 ' CD2' HG23 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' PHE . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.752 HG23 HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD22 ' HZ3' ' A' ' 8' ' ' LYS . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.888 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.886 0.286 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' ' 29' ' ' ILE . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 25' ' ' GLU . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.828 HG13 ' HE3' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.888 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 ' NZ ' ' A' ' 33' ' ' LYS . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.827 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.928 0.303 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.488 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 44' ' ' ILE . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.827 HG13 ' HE3' ' A' ' 11' ' ' MET . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.836 ' CD2' HG23 ' A' ' 7' ' ' ILE . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.582 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ARG . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.846 HG23 HD12 ' A' ' 29' ' ' ILE . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.887 0.375 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.787 HG22 ' SD ' ' A' ' 11' ' ' MET . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.872 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.83 0.263 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.727 ' CE ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG22 ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.578 HG12 HG23 ' A' ' 44' ' ' ILE . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 11' ' ' MET . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.754 ' CD2' HG23 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.578 HG23 HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.401 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.859 0.362 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.761 HG22 ' SD ' ' A' ' 11' ' ' MET . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.761 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.783 0.243 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.87 HG23 ' HE2' ' A' ' 23' ' ' LYS . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HG23 ' A' ' 44' ' ' ILE . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG22 ' HE1' ' A' ' 11' ' ' MET . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 29' ' ' ILE . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.775 HG22 ' SD ' ' A' ' 11' ' ' MET . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.775 ' SD ' HG22 ' A' ' 7' ' ' ILE . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 51.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.843 0.268 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.937 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.937 HG23 ' CE ' ' A' ' 23' ' ' LYS . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.703 HG12 HG23 ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' CE1' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.764 ' CD1' HG23 ' A' ' 7' ' ' ILE . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' HD13 ' A' ' 7' ' ' ILE . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.732 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' GLN . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 51' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.672 HG23 ' CG ' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.788 ' HE1' HD12 ' A' ' 47' ' ' LEU . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo . . . . . 0 C--O 1.232 0.186 0 CA-C-O 120.776 0.24 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.584 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 29' ' ' ILE . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 26' ' ' ALA . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 28' ' ' PHE . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CG ' HG23 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.614 ' HB2' HG12 ' A' ' 32' ' ' VAL . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 29' ' ' ILE . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.707 ' CH2' HD11 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.707 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.888 0.375 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.791 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.884 0.285 . . . . 0.0 112.441 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.647 HG23 ' CE ' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 25' ' ' GLU . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.831 ' CD2' HG23 ' A' ' 7' ' ' ILE . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 7' ' ' ILE . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.866 0.365 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.855 HG23 ' CD1' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 70.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.78 0.242 . . . . 0.0 112.041 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.875 HG23 ' HE2' ' A' ' 23' ' ' LYS . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.824 HG13 ' HE3' ' A' ' 11' ' ' MET . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD2' HG22 ' A' ' 39' ' ' THR . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.855 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' SD ' HD13 ' A' ' 7' ' ' ILE . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 33' ' ' LYS . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.546 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.828 HG23 ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.666 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 31.7 Cg_exo . . . . . 0 C--O 1.23 0.121 0 CA-C-O 120.742 0.226 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.829 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' HE3' ' A' ' 23' ' ' LYS . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' ' 29' ' ' ILE . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.834 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' OD1' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 28' ' ' PHE . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.828 ' CG ' HG23 ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.491 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' HG12 ' A' ' 29' ' ' ILE . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 43' ' ' ALA . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.601 ' CZ3' HD22 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.797 HG23 ' CD1' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.833 ' HE1' HG22 ' A' ' 32' ' ' VAL . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.853 0.272 . . . . 0.0 112.207 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.886 HG23 ' HE2' ' A' ' 23' ' ' LYS . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.72 HG12 HG23 ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.486 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.759 ' HD2' HG23 ' A' ' 39' ' ' THR . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.797 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.539 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.72 HG23 HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD2' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.79 0.246 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.83 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CE ' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.64 ' HB2' HG12 ' A' ' 32' ' ' VAL . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.424 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.11 -44.7 0.39 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.392 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.13 -169.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.928 0.394 . . . . 0.0 111.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.863 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.4 p -67.1 -37.06 78.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -57.77 -42.99 85.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.048 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -63.6 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.65 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 4' ' ' VAL . 10.7 mt -65.45 -43.16 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -64.88 -43.04 94.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.594 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.54 -40.4 95.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.985 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -64.75 -47.36 78.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.717 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.706 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.2 mtt -61.75 -41.23 97.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.282 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -38.68 91.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.72 -47.08 86.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.432 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.3 t -64.67 -37.48 87.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.975 HD11 HD13 ' A' ' 21' ' ' LEU . 2.9 mm -66.44 -43.06 91.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.704 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -70.06 -32.77 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -91.8 14.06 16.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.32 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.04 73.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.529 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -150.62 -172.76 20.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.559 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.546 ' N ' HD13 ' A' ' 15' ' ' ILE . 3.8 p -166.72 148.58 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.775 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.975 HD13 HD11 ' A' ' 15' ' ' ILE . 5.4 mp -112.93 133.39 21.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.9 132.52 50.11 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.29 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.61 -10.13 59.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.214 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.533 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.3 t -86.62 131.14 35.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.696 0.284 . . . . 0.0 110.551 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 29' ' ' ILE . 73.6 tt0 -58.18 -46.17 86.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.21 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.12 -38.39 82.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 111.653 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.56 -34.28 69.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.253 0.549 . . . . 0.0 109.74 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.4 t80 -68.97 -47.26 66.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.565 178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 25' ' ' GLU . 26.2 mt -59.8 -40.28 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.226 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -67.3 -40.88 86.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.288 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.06 -51.49 38.31 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 111.503 -179.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.706 HG22 ' HE1' ' A' ' 11' ' ' MET . 22.1 t -66.7 -45.66 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.956 0.408 . . . . 0.0 111.711 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 32.4 ttpt -66.12 -41.23 90.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.605 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -78.23 -34.93 48.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 10.1 t -80.27 -42.59 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.776 ' CD2' HG23 ' A' ' 7' ' ' ILE . 13.6 m-85 -112.49 13.09 20.09 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 8.1 ttt180 58.32 21.07 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.679 0.276 . . . . 0.0 110.979 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.926 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 51.3 mmm -69.72 73.35 0.39 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.918 0.39 . . . . 0.0 110.719 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.5 t -93.72 6.3 48.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -85.93 127.33 34.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.67 0.272 . . . . 0.0 110.528 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -33.74 65.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -68.67 -46.48 68.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.535 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.926 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -65.84 -39.2 90.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.227 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 29' ' ' ILE . 60.4 mt -65.27 -42.8 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.388 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -45.05 94.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.331 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -43.91 79.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HG ' HG11 ' A' ' 32' ' ' VAL . 2.1 mm? -64.9 -37.59 88.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.416 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 -70.53 -43.18 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.812 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -35.32 74.04 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' LEU . 33.7 t90 -67.99 -44.16 77.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.948 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.484 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.45 -35.43 77.6 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -70.18 -30.36 67.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.645 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.9 t -96.13 -11.96 25.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.514 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 61.8 tp . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.23 58.53 2.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.613 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.29 134.77 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.758 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.944 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.2 p -67.11 -37.34 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.93 -43.06 86.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -64.08 -36.59 84.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.482 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 4' ' ' VAL . 17.7 mt -66.95 -43.11 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.786 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -67.54 -37.31 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.796 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.29 -43.26 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.39 -47.42 76.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.521 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.778 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.9 mtt -61.47 -41.91 97.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.95 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -58.87 -44.33 91.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.708 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.0 -43.41 86.6 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.76 81.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.952 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.823 HD12 HD11 ' A' ' 54' ' ' LEU . 2.6 mt -63.71 -43.17 97.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.452 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.09 -36.02 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -94.47 14.11 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.06 -68.6 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.29 -80.01 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.58 170.4 19.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 0.0 110.946 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.644 HD22 ' CE2' ' A' ' 31' ' ' TYR . 16.9 mt -101.64 165.46 13.99 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 77.5 Cg_exo -50.36 125.13 14.48 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.573 2.182 . . . . 0.0 112.434 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.708 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -84.44 -13.03 53.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.541 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG23 ' CE ' ' A' ' 23' ' ' LYS . 51.5 t -95.47 117.46 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 110.261 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.2 OUTLIER -39.94 -46.57 2.07 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.755 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.11 89.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.923 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.5 mmtt -73.83 -34.19 64.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 109.919 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.08 -48.25 63.14 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.67 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.875 HD12 HG23 ' A' ' 44' ' ' ILE . 3.2 mm -61.36 -40.91 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.288 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -65.39 -40.35 93.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.644 ' CE2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.23 -48.64 64.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 -179.642 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.778 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.9 t -66.24 -45.3 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.988 0.423 . . . . 0.0 111.149 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mtmt -63.09 -33.63 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.37 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.05 -44.73 29.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.693 0.282 . . . . 0.0 111.641 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 11.3 t -80.6 -42.38 22.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.841 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.9 m-85 -112.39 -5.23 14.12 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -178.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 44.5 mtt85 60.51 35.2 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.587 ' HG3' HG12 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -75.15 77.3 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.53 179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -91.23 7.58 40.07 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.753 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.89 126.74 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.639 0.257 . . . . 0.0 110.458 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -54.89 -33.82 62.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.744 0.307 . . . . 0.0 111.049 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.85 -46.17 69.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.542 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.71 85.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.875 HG23 HD12 ' A' ' 29' ' ' ILE . 91.7 mt -66.37 -44.84 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.448 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -66.0 -40.48 91.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -70.09 -45.05 67.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.66 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 2.3 mm? -64.93 -37.53 87.94 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.109 0.481 . . . . 0.0 110.581 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 4.3 t-105 -70.34 -42.98 71.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.052 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -33.05 74.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.512 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.434 ' CD2' ' HG2' ' A' ' 8' ' ' LYS . 37.6 t90 -68.02 -44.28 76.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.171 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -67.3 -33.68 75.79 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.884 179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.94 -30.29 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.543 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.6 -14.43 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.47 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.823 HD11 HD12 ' A' ' 15' ' ' ILE . 7.0 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 145.95 160.82 8.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -91.59 147.13 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG13 ' CD2' ' A' ' 47' ' ' LEU . 62.3 t -67.18 -28.7 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -62.06 -43.25 99.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.598 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -68.04 -41.22 82.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 36' ' ' PHE . 32.2 mt -64.39 -40.06 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.495 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD2' HG12 ' A' ' 4' ' ' VAL . 52.4 mttt -65.47 -46.57 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.08 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -47.43 76.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.933 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.805 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.8 mtt -63.0 -41.67 99.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -60.85 -40.85 94.46 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.765 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.84 88.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.884 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -35.88 78.15 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.057 179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.6 mt -66.93 -43.07 89.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.374 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -67.94 -31.18 70.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.71 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -92.67 14.05 18.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.226 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.36 69.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.678 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 15' ' ' ILE . . . -141.15 -162.9 9.31 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.341 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.7 p -178.31 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.711 0.291 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 15' ' ' ILE . 13.7 mt 74.23 146.02 0.11 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.668 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 43.4 Cg_exo -56.43 171.51 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.584 2.189 . . . . 0.0 112.371 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.792 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -121.24 -12.18 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.568 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG23 ' CE ' ' A' ' 23' ' ' LYS . 67.7 t -98.19 129.51 48.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG2' HD11 ' A' ' 29' ' ' ILE . 27.0 tt0 -43.31 -45.43 5.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 112.001 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.26 83.42 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.21 -34.87 68.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.118 0.485 . . . . 0.0 110.083 179.75 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 87.1 t80 -69.53 -47.4 63.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.689 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HG12 HG23 ' A' ' 44' ' ' ILE . 31.7 mt -59.6 -42.1 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -66.19 -40.81 90.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.88 -51.5 39.63 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.395 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.805 HG22 ' HE1' ' A' ' 11' ' ' MET . 23.4 t -66.77 -45.66 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 0.0 111.608 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 6.3 ttmm -63.91 -38.61 91.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.567 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -78.14 -37.21 46.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.705 0.288 . . . . 0.0 111.592 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 36' ' ' PHE . 15.6 t -80.45 -42.33 22.83 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.789 ' CD2' HG23 ' A' ' 7' ' ' ILE . 8.4 m-85 -112.22 13.05 20.44 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.7 mmt-85 53.23 24.45 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.66 0.266 . . . . 0.0 111.305 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.561 ' HG3' HD13 ' A' ' 7' ' ' ILE . 31.3 mmt -74.73 86.66 2.18 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.791 0.329 . . . . 0.0 110.724 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.472 HG22 ' CG ' ' A' ' 33' ' ' LYS . 64.2 p -103.48 8.05 37.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.652 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.89 129.29 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.643 0.258 . . . . 0.0 110.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -33.8 67.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -46.32 68.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.475 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.68 82.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.415 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HG23 HG12 ' A' ' 29' ' ' ILE . 53.2 mt -65.7 -44.19 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.365 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -43.52 93.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.581 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.25 -44.94 74.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.683 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.89 -37.05 86.35 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.988 0.423 . . . . 0.0 110.573 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.418 ' CD1' ' HE2' ' A' ' 52' ' ' LYS . 6.5 t-105 -70.11 -43.08 71.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.841 179.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.89 -33.41 74.18 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 34.5 t90 -68.02 -44.26 76.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.301 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CE1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -65.73 -33.94 77.03 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.766 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.418 ' HE2' ' CD1' ' A' ' 48' ' ' TRP . 22.5 mtmt -70.19 -30.37 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.567 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -97.49 -12.91 22.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.638 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 50' ' ' TRP . 12.5 tp . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.76 -97.03 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -137.1 157.08 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.756 HG13 ' CD2' ' A' ' 47' ' ' LEU . 51.4 t -67.17 -26.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.61 -43.3 85.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.668 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.413 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.81 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.3 mt -67.29 -41.74 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.702 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.665 ' HD2' HG12 ' A' ' 4' ' ' VAL . 35.9 mttt -66.55 -44.27 82.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.12 -43.11 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.11 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -47.4 78.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.83 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.788 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.8 mtt -62.91 -41.73 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.182 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -61.9 -39.12 90.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.965 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.1 86.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.202 179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.249 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.896 HD11 ' HG ' ' A' ' 21' ' ' LEU . 4.7 mt -67.02 -43.32 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.355 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -67.17 -29.12 68.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -92.4 14.07 17.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.292 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.26 58.21 0.87 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -142.0 169.74 25.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 m -148.55 158.83 44.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.896 ' HG ' HD11 ' A' ' 15' ' ' ILE . 14.5 mt -116.61 147.61 40.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.0 Cg_exo -52.68 170.46 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.556 2.171 . . . . 0.0 112.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.658 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.51 -14.2 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.45 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 23' ' ' LYS . 72.9 t -95.22 129.63 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.789 0.328 . . . . 0.0 110.34 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 47.8 tt0 -44.63 -46.03 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.503 . . . . 0.0 112.143 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.19 85.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 2.1 mptt -72.13 -34.48 68.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.115 0.483 . . . . 0.0 110.028 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.545 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.3 t80 -69.18 -47.87 63.72 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.593 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.505 HG12 HG23 ' A' ' 44' ' ' ILE . 70.4 mt -59.82 -41.11 84.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.282 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.7 -40.77 88.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.16 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' OH ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.04 -51.44 38.93 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.496 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.766 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.81 -45.45 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.999 0.428 . . . . 0.0 111.807 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 3.6 ttmt -62.53 -38.04 88.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.795 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -78.17 -38.13 44.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 0.0 111.755 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.36 -42.35 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.81 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.26 12.98 20.38 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 51.4 25.25 2.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.635 0.255 . . . . 0.0 111.318 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 7' ' ' ILE . 17.4 mmt -73.68 86.22 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.755 0.312 . . . . 0.0 110.749 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 39' ' ' THR . 22.8 m -103.11 7.55 38.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.601 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.9 128.33 34.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.698 0.285 . . . . 0.0 110.607 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -56.14 -33.79 65.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.007 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.73 -46.32 69.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 110.485 179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.496 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 29' ' ' ILE . 58.6 mt -65.37 -43.54 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.474 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -45.03 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.392 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -43.39 79.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.624 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.756 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.91 -37.2 86.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.49 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -70.03 -42.24 73.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.725 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.62 -31.73 72.98 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 25.2 t90 -67.99 -44.39 76.72 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.19 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -69.25 -34.66 75.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.641 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -70.36 -30.39 67.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.543 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -95.59 -15.74 22.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.516 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.918 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.38 130.8 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.46 161.41 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.779 HG13 HD21 ' A' ' 47' ' ' LEU . 55.0 t -67.23 -26.87 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.13 -43.54 98.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.89 -37.78 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.074 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.769 HG22 ' SD ' ' A' ' 11' ' ' MET . 46.2 mt -66.64 -43.09 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.371 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -64.9 -42.49 94.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.2 91.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.398 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -64.46 -47.55 78.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.769 ' SD ' HG22 ' A' ' 7' ' ' ILE . 4.6 mtp -62.06 -41.44 98.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.093 179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -58.6 -45.51 88.95 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.78 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.06 -43.14 86.76 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.5 m -64.13 -35.45 80.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.981 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.717 HG23 ' O ' ' A' ' 19' ' ' GLY . 1.5 mt -63.54 -43.06 98.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.658 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -97.69 14.13 27.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.343 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.01 -73.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.569 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.717 ' O ' HG23 ' A' ' 15' ' ' ILE . . . 163.33 -111.38 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.568 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.6 m -101.54 -178.82 3.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.984 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD22 HD11 ' A' ' 15' ' ' ILE . 3.3 mp -124.72 165.89 22.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.819 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 31' ' ' TYR . 76.7 Cg_exo -48.53 122.37 7.74 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.653 2.235 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.9 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -89.76 -12.04 40.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.58 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.9 HG23 ' HE2' ' A' ' 23' ' ' LYS . 39.3 t -98.94 119.21 46.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.643 0.258 . . . . 0.0 110.629 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.423 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -38.37 -44.16 0.88 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.838 -179.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.51 -38.72 84.7 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 111.78 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 37.5 mttt -72.96 -34.78 66.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.096 0.474 . . . . 0.0 109.769 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.8 t80 -69.78 -47.31 63.37 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.969 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.545 HD12 HG23 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -59.66 -42.05 87.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.289 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -67.44 -40.31 85.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.95 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.45 -51.36 44.43 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.556 -179.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG22 ' CE ' ' A' ' 11' ' ' MET . 20.4 t -66.59 -45.46 88.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 111.462 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.4 ttmt -66.12 -35.63 81.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.99 -178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -78.08 -37.94 45.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.691 0.281 . . . . 0.0 111.694 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.34 -42.22 23.34 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.736 ' CG ' HG23 ' A' ' 7' ' ' ILE . 18.5 m-85 -112.32 10.61 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 9.4 mmt180 52.92 23.76 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.554 0.216 . . . . 0.0 111.419 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.518 ' CE ' HD11 ' A' ' 7' ' ' ILE . 24.2 mmt -70.27 82.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 m -97.33 7.61 46.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.745 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 126.98 34.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.677 0.275 . . . . 0.0 110.476 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -53.9 -33.86 57.82 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.811 0.338 . . . . 0.0 110.961 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -68.82 -45.97 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.499 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.12 92.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.929 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HG23 HD12 ' A' ' 29' ' ' ILE . 38.1 mt -66.35 -42.2 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.751 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.23 -40.89 86.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.586 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.78 -43.46 68.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.533 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD21 HG13 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -64.92 -37.22 86.91 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.223 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.423 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 6.8 t-105 -70.3 -41.2 73.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.704 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -61.19 -35.85 78.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' LEU . 41.8 t90 -66.81 -44.02 82.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.792 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.99 -40.11 92.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.761 179.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -70.1 -30.47 67.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.664 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -92.68 -9.97 38.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.263 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 15' ' ' ILE . 37.1 tp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.91 28.08 0.4 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.31 143.34 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.814 HG13 HD21 ' A' ' 47' ' ' LEU . 73.3 t -67.07 -32.67 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.56 -43.2 99.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.631 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -69.24 -43.1 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.26 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.742 HG23 ' CD2' ' A' ' 36' ' ' PHE . 37.9 mt -64.25 -38.93 83.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.515 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 50' ' ' TRP . 22.5 mtmt -66.1 -47.2 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.423 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -42.16 94.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.502 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -44.77 95.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.38 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.654 ' SD ' HG22 ' A' ' 7' ' ' ILE . 0.0 OUTLIER -59.95 -42.19 93.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.179 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -44.58 94.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.802 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.38 -41.86 85.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.957 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.1 m -66.58 -35.93 81.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.154 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.9 mt -64.19 -43.37 97.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.326 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.28 -36.05 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.949 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -99.46 14.13 30.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.374 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.92 -69.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.567 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 161.59 -76.46 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.599 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -146.87 166.83 25.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HG ' HD11 ' A' ' 15' ' ' ILE . 16.3 mt -101.8 164.78 15.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.73 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 82.5 Cg_exo -46.36 116.11 1.42 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.603 2.202 . . . . 0.0 112.5 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -80.79 -6.1 58.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.701 -179.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' HE3' ' A' ' 23' ' ' LYS . 45.3 t -106.49 115.67 48.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -37.73 -46.42 0.9 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.129 -179.229 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -66.09 -38.09 87.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 111.354 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -71.74 -34.47 69.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.215 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.899 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.0 t80 -69.68 -44.21 70.93 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.907 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.573 HG22 ' HD3' ' A' ' 33' ' ' LYS . 9.5 mt -61.88 -42.87 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.387 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.46 -37.92 80.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CD2' ' HG2' ' A' ' 22' ' ' PRO . 0.2 OUTLIER -68.19 -51.08 49.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.34 -179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 28' ' ' PHE . 11.8 t -64.62 -45.25 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.335 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.573 ' HD3' HG22 ' A' ' 29' ' ' ILE . 15.2 mtpt -59.86 -34.24 72.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.69 -45.03 22.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.832 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 62.2 m -80.53 -42.26 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.742 ' CD2' HG23 ' A' ' 7' ' ' ILE . 42.7 m-85 -110.64 1.63 18.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 59.39 19.98 8.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.29 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.463 ' HB2' HG12 ' A' ' 32' ' ' VAL . 29.8 mmt -70.39 80.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.502 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.7 m -91.04 2.86 55.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.78 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.88 127.49 34.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.621 0.248 . . . . 0.0 110.429 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -57.42 -33.78 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.054 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -46.37 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.793 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -67.25 -44.0 80.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.767 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.463 HG21 HG23 ' A' ' 29' ' ' ILE . 10.7 mt -66.22 -40.22 86.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.777 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.1 -45.02 90.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.46 -40.55 77.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.05 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.814 HD21 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -64.81 -37.34 87.3 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.087 179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.427 ' CE3' ' CG ' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.46 -40.63 73.57 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.783 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -60.71 -36.65 79.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.427 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CH2' HD11 ' A' ' 54' ' ' LEU . 40.5 t90 -67.8 -44.29 77.69 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.991 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HG2' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.89 -34.7 77.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 179.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -70.36 -30.49 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.583 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 t -94.69 -13.75 25.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.48 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.618 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.49 -90.27 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -104.66 157.11 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.793 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.3 p -67.07 -37.47 79.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.178 0.513 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.43 -43.04 88.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.803 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -62.69 -36.68 83.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD1' ' A' ' 36' ' ' PHE . 21.3 mt -67.99 -43.41 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 -42.24 91.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.6 -40.11 88.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -64.42 -47.3 79.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.78 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.793 ' HE3' HG13 ' A' ' 32' ' ' VAL . 1.4 mtt -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.256 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -38.99 91.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.113 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.17 80.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.387 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -61.54 -35.95 79.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.125 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' HG ' ' A' ' 21' ' ' LEU . 5.7 mm -70.06 -43.42 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.494 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -67.35 -28.96 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.798 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.76 14.01 16.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 53.19 0.86 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -120.11 -175.01 15.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.54 ' N ' HD13 ' A' ' 15' ' ' ILE . 4.9 m -173.02 113.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 15' ' ' ILE . 10.0 mt -87.53 161.24 45.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 31.5 Cg_exo -59.08 166.42 7.15 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.654 ' HD2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -113.62 -18.43 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.185 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.654 HG23 ' HD2' ' A' ' 23' ' ' LYS . 84.3 t -95.33 130.21 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.766 0.317 . . . . 0.0 110.331 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -44.24 -45.64 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.127 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.33 87.47 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -73.53 -34.82 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.217 0.532 . . . . 0.0 110.166 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.553 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.0 t80 -69.1 -48.19 63.2 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.498 178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.656 HG12 HG23 ' A' ' 44' ' ' ILE . 97.8 mt -59.9 -41.05 84.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.342 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -65.01 -40.94 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.518 ' OH ' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.65 -51.34 43.08 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.418 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.793 HG13 ' HE3' ' A' ' 11' ' ' MET . 18.6 t -66.65 -45.27 88.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 111.852 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.6 tmmt? -62.24 -44.13 97.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.178 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -78.13 -33.25 50.53 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.8 t -80.27 -42.72 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD1' HG23 ' A' ' 7' ' ' ILE . 10.8 m-85 -112.74 12.13 19.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 38.3 mtm180 56.05 22.96 6.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.682 0.277 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.3 mmt -73.91 89.74 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.7 p -107.48 8.27 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.558 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -85.93 129.35 34.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.699 0.285 . . . . 0.0 110.592 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -55.97 -33.79 65.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.944 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -68.7 -46.2 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.41 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.43 90.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.455 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.656 HG23 HG12 ' A' ' 29' ' ' ILE . 66.7 mt -65.03 -44.62 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.522 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -44.72 95.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.537 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -43.57 79.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.658 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 28' ' ' PHE . 2.0 mm? -64.82 -37.2 86.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.425 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -70.2 -43.06 71.49 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.753 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -60.52 -34.92 74.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 42.6 t90 -67.73 -43.73 79.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.948 178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.01 -37.94 84.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -70.29 -30.43 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.759 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.0 -11.29 31.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.395 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 50' ' ' TRP . 15.4 tp . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.61 172.78 44.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -168.11 169.06 11.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG22 HD21 ' A' ' 47' ' ' LEU . 1.4 p -67.2 -37.25 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.188 0.518 . . . . 0.0 110.722 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -57.84 -38.02 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.741 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.84 -35.68 80.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.846 HG23 ' CD1' ' A' ' 36' ' ' PHE . 66.0 mt -69.22 -43.07 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.821 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -65.82 -44.3 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.659 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.06 94.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.029 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -47.15 84.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.658 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.844 ' HE3' HG13 ' A' ' 32' ' ' VAL . 2.5 mtt -61.01 -41.6 96.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.164 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -39.8 92.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.939 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -47.06 88.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -61.03 -39.17 88.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.096 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.131 HD11 HD13 ' A' ' 21' ' ' LEU . 4.1 mt -66.57 -43.28 90.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.247 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.92 -26.45 65.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -90.9 14.06 14.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.07 34.95 4.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.511 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.55 -172.33 22.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -164.28 139.86 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.131 HD13 HD11 ' A' ' 15' ' ' ILE . 7.3 mp -106.25 146.08 32.25 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.452 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 50.0 Cg_exo -53.36 174.72 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.531 2.154 . . . . 0.0 112.23 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.922 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -124.49 -7.67 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.521 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.922 HG23 ' CE ' ' A' ' 23' ' ' LYS . 25.8 t -104.87 145.23 13.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.635 0.255 . . . . 0.0 110.487 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' HG2' ' CD1' ' A' ' 29' ' ' ILE . 38.5 tt0 -57.5 -46.23 84.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.516 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -34.78 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.227 0.537 . . . . 0.0 110.096 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.549 ' O ' HG23 ' A' ' 32' ' ' VAL . 87.2 t80 -69.19 -48.16 62.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.602 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 HG23 ' A' ' 44' ' ' ILE . 55.8 mt -60.2 -41.93 88.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.233 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -64.47 -40.47 95.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.024 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.47 -51.31 44.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.331 -179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.844 HG13 ' HE3' ' A' ' 11' ' ' MET . 20.0 t -66.54 -45.27 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 0.0 111.444 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -62.68 -33.82 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.694 -179.305 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.18 -41.86 33.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.798 0.332 . . . . 0.0 111.593 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -42.09 22.96 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.2 m-85 -112.03 -4.0 14.61 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER 62.51 27.58 16.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 111.176 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.485 ' CG ' HD13 ' A' ' 7' ' ' ILE . 29.8 mmt -70.5 72.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.911 0.386 . . . . 0.0 110.516 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 39' ' ' THR . 48.7 m -87.33 7.59 28.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.825 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.93 125.89 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.64 0.257 . . . . 0.0 110.518 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.86 63.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.954 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -46.36 68.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.047 0.451 . . . . 0.0 110.491 179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -66.15 -38.11 87.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.609 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HG12 ' A' ' 29' ' ' ILE . 80.7 mt -66.04 -44.93 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.467 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -44.32 96.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.399 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -44.24 75.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD21 HG22 ' A' ' 4' ' ' VAL . 3.2 mm? -64.8 -37.17 86.72 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.388 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.27 -42.97 71.41 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.85 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.7 -34.7 74.75 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.543 ' CE2' HD13 ' A' ' 54' ' ' LEU . 32.7 t90 -68.08 -42.98 79.58 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.975 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.93 -42.68 98.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.535 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.35 -30.51 67.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -89.38 -11.84 42.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.194 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE2' ' A' ' 50' ' ' TRP . 8.6 tp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.841 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.33 49.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.34 153.0 36.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.802 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.2 p -67.02 -37.51 79.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.114 0.483 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -57.94 -42.99 86.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -64.27 -35.09 79.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.564 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 4' ' ' VAL . 35.5 mt -67.83 -43.19 86.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.841 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HZ3' HD22 ' A' ' 47' ' ' LEU . 1.5 mttp -65.11 -46.6 80.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.71 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -65.29 -47.25 77.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE1' HG22 ' A' ' 32' ' ' VAL . 2.0 mtt -62.78 -41.52 99.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.312 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -38.58 91.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.11 84.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.328 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.2 m -62.06 -37.98 87.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.029 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.585 HD11 ' HG ' ' A' ' 21' ' ' LEU . 3.7 mm -63.99 -43.32 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.56 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.767 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -91.99 14.09 16.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.311 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.83 73.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.558 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -151.47 -173.17 21.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.545 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.566 ' N ' HD13 ' A' ' 15' ' ' ILE . 39.4 m -167.61 146.71 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 110.785 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 ' HG ' HD11 ' A' ' 15' ' ' ILE . 20.6 mt -111.47 138.79 21.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.006 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' A' ' 31' ' ' TYR . 52.3 Cg_exo -53.23 135.37 59.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.62 2.213 . . . . 0.0 112.124 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -87.11 -8.13 57.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.266 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.762 HG23 ' CE ' ' A' ' 23' ' ' LYS . 55.6 t -98.88 123.04 51.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -41.32 -45.96 3.13 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.881 -179.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.1 83.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 3.9 mtmm -73.12 -34.77 66.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.13 0.49 . . . . 0.0 110.212 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.6 t80 -69.3 -48.32 61.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.688 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.752 HG12 HG23 ' A' ' 44' ' ' ILE . 67.6 mt -60.59 -40.26 83.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.149 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.08 -40.47 94.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.715 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CD1' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.43 -51.33 44.97 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.243 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.828 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.3 t -66.53 -45.41 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 111.404 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.8 ttmm -66.06 -34.75 78.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.488 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -78.34 -40.6 36.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.743 0.306 . . . . 0.0 111.712 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.1 m -80.32 -42.1 23.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.781 ' CD2' HG23 ' A' ' 7' ' ' ILE . 6.6 m-85 -112.08 13.18 20.64 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 11.1 ttt180 54.63 23.58 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.632 0.254 . . . . 0.0 111.392 179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' PHE . 32.4 mmt -70.28 85.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.746 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -104.3 6.77 35.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.629 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.92 131.09 34.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.701 0.286 . . . . 0.0 110.501 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -33.82 69.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.078 -179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -68.72 -46.36 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.594 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.421 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.752 HG23 HG12 ' A' ' 29' ' ' ILE . 56.1 mt -67.18 -45.01 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.354 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -65.08 -40.55 94.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.474 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.6 -43.01 70.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.496 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD22 ' HZ3' ' A' ' 8' ' ' LYS . 2.9 mm? -64.88 -36.99 86.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.313 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 4.3 t-105 -70.08 -43.1 71.81 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.93 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.94 -32.62 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CZ2' ' CD1' ' A' ' 54' ' ' LEU . 68.5 t90 -67.96 -44.04 77.65 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.033 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.26 -38.94 92.82 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -70.39 -30.46 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.44 -10.29 32.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.456 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' CZ2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.84 61.71 3.22 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -109.66 162.38 14.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.829 HG13 HD21 ' A' ' 47' ' ' LEU . 54.3 t -67.07 -33.9 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -43.25 89.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.782 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.63 -36.42 78.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.226 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.888 HG23 ' CD2' ' A' ' 36' ' ' PHE . 21.1 mt -68.86 -38.26 78.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.545 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 54.8 mttt -68.03 -45.4 74.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.517 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.06 95.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -47.34 81.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.61 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.828 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.4 mtt -62.89 -41.48 99.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.143 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -58.73 -43.48 90.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.836 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.51 98.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.84 178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.71 -38.26 90.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.26 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.533 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.2 mt -63.92 -43.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.298 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -69.5 -32.61 71.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.657 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -99.72 14.11 31.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.273 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -149.51 -75.11 0.02 OUTLIER Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.568 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.18 -168.74 41.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.593 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.16 163.63 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD22 ' CE1' ' A' ' 31' ' ' TYR . 14.4 mt -100.54 166.36 12.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.2 119.51 5.89 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.579 2.186 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.11 -14.68 58.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.985 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' HA ' ' HE2' ' A' ' 23' ' ' LYS . 21.2 t -88.05 117.38 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.827 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' ' 29' ' ' ILE . 54.1 tt0 -42.92 -46.05 5.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.941 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.28 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.768 0.318 . . . . 0.0 111.457 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -71.79 -34.53 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.151 0.5 . . . . 0.0 109.937 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 88.8 t80 -69.49 -46.54 66.38 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.821 178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 25' ' ' GLU . 53.3 mt -59.73 -42.08 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.273 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -67.28 -40.69 86.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.206 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.05 -51.5 38.33 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.55 -179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.828 HG13 ' HE3' ' A' ' 11' ' ' MET . 30.6 t -66.41 -45.61 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.969 0.414 . . . . 0.0 111.731 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.0 ttmm -62.49 -43.42 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.899 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -78.1 -33.98 50.35 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 96.8 m -80.21 -42.69 22.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.888 ' CD2' HG23 ' A' ' 7' ' ' ILE . 7.8 m-85 -112.59 13.02 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.56 23.56 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.677 0.275 . . . . 0.0 111.2 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.8 mmt -76.12 77.42 2.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 ' NZ ' ' A' ' 33' ' ' LYS . 1.6 m -94.95 7.56 45.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.572 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.97 129.22 34.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.683 0.278 . . . . 0.0 110.568 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -56.93 -33.71 67.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.133 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -46.41 69.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.95 88.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.565 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 44.8 mt -65.34 -44.55 94.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.501 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -45.03 95.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.42 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -44.14 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.703 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.829 HD21 HG13 ' A' ' 4' ' ' VAL . 1.1 mm? -64.82 -37.18 86.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.445 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 5.9 t-105 -70.17 -43.14 71.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.694 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -34.08 73.81 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.34 178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' HD12 ' A' ' 54' ' ' LEU . 32.5 t90 -67.95 -44.17 77.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.994 178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.74 -35.62 80.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.971 0.415 . . . . 0.0 110.694 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -70.16 -30.31 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.677 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -95.81 -12.48 25.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.531 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD12 ' CZ2' ' A' ' 50' ' ' TRP . 5.2 tt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.25 143.88 13.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.25 -170.89 3.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HA ' HD12 ' A' ' 7' ' ' ILE . 0.8 OUTLIER -67.02 -37.16 78.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.53 -41.92 81.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.549 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -62.88 -34.93 78.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.276 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.836 HG23 ' CD2' ' A' ' 36' ' ' PHE . 55.7 mt -68.42 -43.12 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.795 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -43.47 93.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.07 86.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.344 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -62.84 -47.18 84.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.573 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.827 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.345 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -46.49 86.1 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.17 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -63.49 -35.62 81.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.009 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.6 mt -63.88 -43.02 97.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.211 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -34.87 75.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.572 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -100.1 14.09 31.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.75 -74.88 0.01 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.68 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 166.57 178.44 39.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 t -54.71 166.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.882 0.373 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HG ' HD11 ' A' ' 15' ' ' ILE . 6.8 mt -94.2 166.03 16.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 60.7 Cg_exo -52.14 111.87 0.72 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.556 2.171 . . . . 0.0 112.47 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -65.25 -22.12 66.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.019 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 24.0 t -84.75 121.1 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.726 0.298 . . . . 0.0 110.607 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' O ' HG12 ' A' ' 29' ' ' ILE . 74.0 tt0 -45.21 -46.32 12.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.659 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.1 89.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.835 0.35 . . . . 0.0 111.189 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 5.8 mttt -71.34 -34.16 70.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.484 . . . . 0.0 109.756 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.488 ' CD2' ' HG3' ' A' ' 51' ' ' ARG . 84.5 t80 -69.27 -48.35 61.99 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.912 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.846 HD12 HG23 ' A' ' 44' ' ' ILE . 16.5 mm -59.92 -40.56 83.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -40.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.99 -52.0 33.46 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.238 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.827 HG13 ' HE3' ' A' ' 11' ' ' MET . 17.6 t -66.99 -45.35 87.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 0.0 111.884 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 1.5 ttmm -60.48 -33.72 72.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.704 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -78.15 -45.02 24.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.732 0.301 . . . . 0.0 111.559 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.9 t -80.56 -37.46 31.36 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.836 ' CD2' HG23 ' A' ' 7' ' ' ILE . 55.3 m-85 -111.61 -5.28 14.53 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -178.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 7.2 mtt85 59.88 33.03 21.51 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.662 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.582 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.3 ptp -56.62 93.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.804 0.335 . . . . 0.0 110.494 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' ARG . 74.9 p -101.52 -9.81 20.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.888 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.79 121.01 27.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -33.62 56.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.006 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -42.2 79.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.088 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.95 83.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.37 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.846 HG23 HD12 ' A' ' 29' ' ' ILE . 20.7 mt -65.05 -45.07 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.445 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -66.23 -40.14 90.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -68.93 -44.87 72.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD21 HG22 ' A' ' 4' ' ' VAL . 2.4 mm? -64.81 -37.24 86.96 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.986 0.422 . . . . 0.0 110.549 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 25' ' ' GLU . 4.4 t-105 -70.32 -42.2 72.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.919 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.7 -35.24 77.46 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -66.82 -44.16 81.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.614 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.13 -33.85 76.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.28 179.057 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -69.45 -30.42 68.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 p -96.22 -7.43 35.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.339 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.19 45.36 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -87.87 141.07 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG13 HD21 ' A' ' 47' ' ' LEU . 69.8 t -67.05 -28.59 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -59.86 -43.28 94.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.746 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.15 -38.9 75.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.43 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.787 HG22 ' SD ' ' A' ' 11' ' ' MET . 23.3 mt -65.08 -43.14 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.618 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HE3' HG12 ' A' ' 4' ' ' VAL . 4.6 mtmp? -67.23 -41.83 85.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.382 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.16 -47.41 71.1 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.678 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.872 ' HE3' HG13 ' A' ' 32' ' ' VAL . 4.9 mtt -63.22 -41.63 99.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.285 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -61.76 -41.24 97.42 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.82 86.9 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.9 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -37.24 82.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.099 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 11' ' ' MET . 2.3 mt -65.53 -43.13 94.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.265 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -67.56 -32.03 72.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -92.91 14.09 18.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.271 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.71 73.9 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.582 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.54 -159.73 8.68 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.49 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.98 -36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.706 0.289 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 15' ' ' ILE . 17.4 mt 66.34 140.65 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.719 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.68 164.1 3.41 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.512 2.142 . . . . 0.0 112.439 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.727 ' CE ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER -112.49 -11.95 13.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.154 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG22 ' CE ' ' A' ' 23' ' ' LYS . 20.8 t -88.87 134.79 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.579 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' O ' HG13 ' A' ' 29' ' ' ILE . 61.4 tt0 -55.84 -45.38 78.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.249 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.07 -38.34 82.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.304 . . . . 0.0 111.629 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -71.64 -34.49 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.189 0.518 . . . . 0.0 109.928 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 32' ' ' VAL . 90.4 t80 -69.23 -48.19 62.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.757 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.578 HG12 HG23 ' A' ' 44' ' ' ILE . 69.9 mt -59.85 -40.1 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.337 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -67.58 -40.62 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.124 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.82 -51.25 42.79 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.476 -179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.872 HG13 ' HE3' ' A' ' 11' ' ' MET . 12.5 t -66.42 -45.15 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.878 0.371 . . . . 0.0 111.716 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 5.4 ttmt -62.36 -36.03 81.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.854 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -78.2 -39.85 39.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.767 0.317 . . . . 0.0 111.613 -179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 -39.02 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.754 ' CD2' HG23 ' A' ' 7' ' ' ILE . 23.1 m-85 -112.04 -2.16 15.14 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 2.0 mmt85 60.03 33.19 21.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.684 0.278 . . . . 0.0 111.373 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.58 72.89 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.893 0.378 . . . . 0.0 110.652 179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.19 -2.97 47.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 121.34 28.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.705 0.288 . . . . 0.0 110.744 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.82 -33.58 56.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.019 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -68.26 -39.54 82.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.381 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.23 80.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.211 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.578 HG23 HG12 ' A' ' 29' ' ' ILE . 70.6 mt -65.83 -45.14 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.605 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.6 -41.29 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.598 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.9 -45.11 71.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.772 HD21 HG13 ' A' ' 4' ' ' VAL . 2.0 mm? -64.85 -36.93 85.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 8.6 t-105 -70.1 -41.0 74.61 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -35.4 77.11 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.55 ' CE2' HD13 ' A' ' 54' ' ' LEU . 37.6 t90 -66.79 -44.18 81.95 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.984 178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -62.65 -35.86 80.98 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.638 179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -70.26 -30.38 67.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.56 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 m -94.35 -13.33 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 50' ' ' TRP . 11.5 tp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.79 -82.54 0.2 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.585 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.13 160.75 36.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.802 HG13 HD21 ' A' ' 47' ' ' LEU . 37.2 t -64.53 -33.25 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.649 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.54 -43.17 97.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -69.66 -38.42 77.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.276 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 4' ' ' VAL . 20.7 mt -64.87 -43.13 96.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.426 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.542 ' HD2' HG12 ' A' ' 4' ' ' VAL . 18.9 mttt -64.78 -46.77 80.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.428 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.03 94.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.08 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -64.0 -47.37 80.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.761 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.3 mtt -64.05 -41.36 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -38.65 90.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.239 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.84 -47.09 79.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.58 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -62.74 -38.85 92.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.358 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.103 HD11 HD13 ' A' ' 21' ' ' LEU . 9.2 mm -69.08 -43.48 81.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.382 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -67.61 -27.67 67.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.682 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.32 14.03 15.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.394 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.55 2.26 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.594 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -107.86 -176.67 22.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.542 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 80.8 p -158.87 125.29 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 15' ' ' ILE . 5.5 mp -99.2 143.65 26.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_exo -51.73 165.78 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.51 2.14 . . . . 0.0 112.439 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.87 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.41 -15.0 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.308 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.87 HG23 ' HE2' ' A' ' 23' ' ' LYS . 60.5 t -97.15 130.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.234 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 29' ' ' ILE . 47.0 tt0 -45.97 -46.03 16.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.914 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -74.2 -34.84 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.186 0.517 . . . . 0.0 110.126 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.2 t80 -69.48 -48.35 61.0 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.785 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HG23 ' A' ' 44' ' ' ILE . 3.6 mm -61.94 -39.11 82.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.408 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -66.5 -41.03 89.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -69.17 -51.35 39.03 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.555 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG22 ' HE1' ' A' ' 11' ' ' MET . 20.0 t -66.58 -45.55 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 111.934 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.6 tmmt? -62.73 -41.51 99.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.14 -178.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -78.07 -35.74 49.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HB3' ' CD2' ' A' ' 36' ' ' PHE . 2.1 t -80.32 -42.55 22.78 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.708 ' CD1' HG23 ' A' ' 7' ' ' ILE . 11.8 m-85 -112.52 12.92 20.03 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 55.95 22.27 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.571 0.224 . . . . 0.0 111.29 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HB1' ' A' ' 43' ' ' ALA . 32.2 mmt -66.57 88.56 0.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.872 0.368 . . . . 0.0 110.679 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.45 4.8 24.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.652 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.99 127.85 34.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.687 0.279 . . . . 0.0 110.594 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -33.83 62.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.985 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.82 -46.08 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' SD ' ' A' ' 38' ' ' MET . . . -66.37 -36.09 82.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.409 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.87 HG23 HD12 ' A' ' 29' ' ' ILE . 89.9 mt -66.58 -43.77 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.435 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.58 -39.95 84.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -70.4 -44.4 68.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.702 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.802 HD21 HG13 ' A' ' 4' ' ' VAL . 1.6 mm? -64.76 -37.31 87.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 110.419 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.1 t-105 -70.24 -41.46 73.5 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.669 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.06 -35.14 76.14 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' HE2' ' A' ' 8' ' ' LYS . 40.6 t90 -67.64 -44.08 78.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.986 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -61.5 -38.42 87.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.738 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 mtmt -70.26 -30.51 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.574 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.0 m -93.58 -11.22 32.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.67 -163.26 17.4 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.538 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.749 HG13 ' CD2' ' A' ' 47' ' ' LEU . 54.0 t -67.18 -27.13 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -65.01 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -70.58 -41.86 71.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.307 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.775 HG22 ' SD ' ' A' ' 11' ' ' MET . 24.2 mt -64.75 -42.8 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HD3' ' CD1' ' A' ' 50' ' ' TRP . 4.1 mttt -64.57 -46.84 81.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.583 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.34 96.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.183 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -47.5 76.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.872 0.367 . . . . 0.0 110.956 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.775 ' SD ' HG22 ' A' ' 7' ' ' ILE . 1.9 mtt -63.74 -41.7 97.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.157 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -61.81 -39.1 90.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.915 178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.96 86.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.04 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -61.44 -37.11 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.142 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.024 HD11 HD23 ' A' ' 21' ' ' LEU . 3.1 mt -68.26 -43.37 84.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.42 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.85 -31.62 70.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 14.16 19.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.1 68.44 0.89 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.45 175.48 20.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 p -159.58 130.27 5.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.024 HD23 HD11 ' A' ' 15' ' ' ILE . 2.6 mm? -108.32 153.64 41.85 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 51.4 Cg_exo -54.44 170.26 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 112.488 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.937 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -119.4 -12.25 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.465 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.937 HG23 ' CE ' ' A' ' 23' ' ' LYS . 83.4 t -94.72 133.54 35.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.7 0.286 . . . . 0.0 110.291 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -48.23 -45.09 33.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.08 -38.43 82.35 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -72.99 -34.47 66.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.264 0.554 . . . . 0.0 110.068 179.63 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 32' ' ' VAL . 86.4 t80 -69.03 -48.2 63.52 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.628 178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.703 HG12 HG23 ' A' ' 44' ' ' ILE . 78.5 mt -59.94 -40.81 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.202 179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.3 m-20 -65.84 -40.85 92.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.203 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.813 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.89 -51.45 39.95 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.556 0.217 . . . . 0.0 111.29 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.731 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.6 t -66.63 -45.41 88.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.918 0.389 . . . . 0.0 111.597 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 4.5 ttmt -65.97 -37.29 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.434 -179.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -78.25 -37.7 44.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.623 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.7 m -80.31 -42.24 23.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.764 ' CD1' HG23 ' A' ' 7' ' ' ILE . 9.2 m-85 -112.13 13.13 20.57 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 53.9 mtm-85 53.81 24.23 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.653 0.263 . . . . 0.0 111.186 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HG3' HD13 ' A' ' 7' ' ' ILE . 30.9 mmt -76.36 87.85 3.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.875 0.369 . . . . 0.0 110.768 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -106.94 10.6 30.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.02 131.08 34.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.652 0.263 . . . . 0.0 110.582 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -56.11 -33.78 65.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.65 -46.4 69.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.979 0.419 . . . . 0.0 110.489 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.05 86.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.507 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.703 HG23 HG12 ' A' ' 29' ' ' ILE . 66.2 mt -65.47 -43.58 94.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.558 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -43.22 91.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.603 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.79 -44.56 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.685 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.749 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.9 mm? -64.67 -37.24 86.9 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.021 0.439 . . . . 0.0 110.435 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.33 -43.1 70.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.728 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 52' ' ' LYS . 4.0 mm-40 -58.74 -36.17 73.89 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.334 178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CZ2' HD21 ' A' ' 54' ' ' LEU . 27.0 t90 -68.07 -44.18 76.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.187 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.732 ' HA ' HD12 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.93 -35.58 77.07 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.923 0.392 . . . . 0.0 110.775 179.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 49' ' ' GLN . 3.4 mtpm? -67.66 -30.43 69.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.45 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.4 -12.32 24.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.368 179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 51' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.12 -50.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -125.58 -178.72 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 47' ' ' LEU . 77.9 t -66.98 -30.29 49.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -67.35 -43.2 82.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 110.615 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.81 -45.03 72.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.056 0.455 . . . . 0.0 110.089 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.672 HG23 ' CG ' ' A' ' 36' ' ' PHE . 41.1 mt -64.32 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.351 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mtmm -62.13 -47.13 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.134 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.78 94.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.396 179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.98 -46.06 89.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.449 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.788 ' HE1' HD12 ' A' ' 47' ' ' LEU . 5.1 mtt -59.84 -41.85 92.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.026 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -60.59 -44.07 96.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.929 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.05 -44.28 87.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.072 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.82 -35.75 81.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.094 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 HD11 ' HG ' ' A' ' 21' ' ' LEU . 1.4 mt -63.85 -43.05 97.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.44 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -35.83 74.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.824 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -97.86 14.07 28.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.18 -73.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 167.64 -72.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.468 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.43 161.65 40.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.351 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' HG ' HD11 ' A' ' 15' ' ' ILE . 12.7 mt -89.13 158.79 46.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.2 122.71 10.53 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.529 2.152 . . . . 0.0 112.325 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.584 ' HE2' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -78.43 -8.08 58.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.384 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.584 HG22 ' HE2' ' A' ' 23' ' ' LYS . 6.7 t -94.72 113.26 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.869 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' HG2' HD11 ' A' ' 29' ' ' ILE . 61.0 tt0 -42.13 -46.23 4.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.866 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -64.47 -38.07 89.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -70.25 -34.36 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.878 ' O ' HG23 ' A' ' 32' ' ' VAL . 82.4 t80 -69.48 -41.17 76.5 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.088 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 26' ' ' ALA . 16.2 mt -64.03 -43.66 97.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.955 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -69.21 -36.92 77.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.252 0.549 . . . . 0.0 110.196 178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 11' ' ' MET . 0.9 OUTLIER -65.55 -51.18 61.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.248 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 28' ' ' PHE . 13.0 t -66.35 -45.21 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 111.364 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.608 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -59.89 -33.85 72.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.417 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -78.46 -45.27 22.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -80.91 -42.63 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CG ' HG23 ' A' ' 7' ' ' ILE . 21.1 m-85 -112.41 -5.31 14.1 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -178.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER 61.01 29.94 19.3 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.363 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.614 ' HB2' HG12 ' A' ' 32' ' ' VAL . 19.9 mmt -73.69 75.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.339 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 p -84.38 3.77 34.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.896 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.95 122.89 30.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.609 0.243 . . . . 0.0 110.394 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -55.08 -33.81 63.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.193 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -68.86 -46.45 68.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.013 0.435 . . . . 0.0 110.621 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.08 -40.66 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.87 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.416 ' CG2' HG12 ' A' ' 29' ' ' ILE . 11.6 mt -66.17 -41.18 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -65.28 -45.1 85.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.348 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -42.06 79.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.451 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.788 HD12 ' HE1' ' A' ' 11' ' ' MET . 1.8 mm? -64.86 -37.37 87.4 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.237 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' ' 25' ' ' GLU . 8.7 t-105 -70.4 -40.73 73.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.651 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -60.6 -36.02 77.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.707 ' CH2' HD11 ' A' ' 54' ' ' LEU . 42.3 t90 -67.28 -44.14 80.04 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.948 178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.449 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -63.71 -36.94 85.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.76 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -70.42 -30.47 67.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.744 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -95.34 -12.14 26.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.488 179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.707 HD11 ' CH2' ' A' ' 50' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.33 -147.66 18.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.429 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -110.65 165.02 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.74 HG13 ' CD2' ' A' ' 47' ' ' LEU . 79.8 t -67.1 -29.42 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -64.13 -43.37 95.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.93 -39.74 75.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.364 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.831 HG23 ' CD2' ' A' ' 36' ' ' PHE . 19.7 mt -66.46 -43.1 91.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HE3' HG12 ' A' ' 4' ' ' VAL . 3.3 mtmp? -65.65 -43.51 89.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.593 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.05 99.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.051 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -47.35 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.786 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.791 ' SD ' HG22 ' A' ' 7' ' ' ILE . 2.6 mtt -63.11 -41.56 99.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.117 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -60.82 -40.3 92.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.98 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.0 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.206 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.85 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.304 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.864 HD11 HD13 ' A' ' 21' ' ' LEU . 3.1 mt -64.4 -43.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.457 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -27.88 66.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.962 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.69 14.1 16.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.341 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.89 65.14 0.88 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.91 -168.63 11.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.97 133.17 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.316 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.864 HD13 HD11 ' A' ' 15' ' ' ILE . 6.3 mp -106.7 143.62 27.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.475 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 51.5 Cg_exo -53.31 162.1 3.32 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -116.77 -18.98 10.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.266 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.647 HG23 ' CE ' ' A' ' 23' ' ' LYS . 69.4 t -89.27 127.81 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -42.68 -46.2 4.96 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.941 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.11 -38.1 81.87 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -72.62 -35.05 67.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.092 0.473 . . . . 0.0 110.295 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.514 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.7 t80 -69.66 -48.33 60.21 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.727 178.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 25' ' ' GLU . 21.8 mt -60.04 -39.4 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.375 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -68.05 -40.67 82.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CD2' ' HD2' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -68.74 -51.28 43.06 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.51 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.5 t -66.4 -45.44 89.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.61 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.1 ttmt -62.1 -43.56 98.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -78.14 -33.47 50.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 87.2 m -80.23 -42.56 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 -178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.831 ' CD2' HG23 ' A' ' 7' ' ' ILE . 9.6 m-85 -112.37 13.04 20.24 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.314 0.486 . . . . 0.0 112.314 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 10.3 tpt180 56.11 22.53 6.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.241 . . . . 0.0 111.248 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.445 ' CE ' HD11 ' A' ' 7' ' ' ILE . 29.7 mmt -70.2 82.45 0.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.805 0.336 . . . . 0.0 110.694 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 p -99.97 4.31 44.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.674 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 126.5 34.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.697 0.284 . . . . 0.0 110.602 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -54.02 -33.59 57.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.068 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -68.55 -46.17 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.678 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -40.46 84.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.641 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 29' ' ' ILE . 51.3 mt -64.62 -41.29 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.629 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.88 -44.5 80.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.496 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -67.54 -41.91 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.579 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.6 mm? -64.79 -37.19 86.76 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.225 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 10.8 t-105 -70.31 -40.52 74.17 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.532 179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -60.43 -36.83 79.11 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' LEU . 37.9 t90 -68.06 -40.39 82.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.812 178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.493 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.85 -41.06 95.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -30.43 68.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -92.03 -10.54 38.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.225 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 50' ' ' TRP . 8.0 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.98 -147.96 14.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -138.61 176.96 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.804 HG13 HD21 ' A' ' 47' ' ' LEU . 53.1 t -67.08 -27.04 38.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.968 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -63.23 -43.45 98.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.43 -36.92 74.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.242 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.855 HG23 ' CD1' ' A' ' 36' ' ' PHE . 23.7 mt -67.88 -41.81 85.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.459 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -66.75 -44.29 81.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.539 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.17 98.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.45 -47.26 79.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 0.0 110.596 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' HG13 ' A' ' 32' ' ' VAL . 3.5 mtt -62.21 -41.56 98.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.197 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -45.1 90.42 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.49 -43.34 88.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.63 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -63.87 -35.71 81.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.012 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.742 HD11 ' HG ' ' A' ' 21' ' ' LEU . 2.0 mt -63.78 -43.13 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -70.04 -36.09 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.742 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -96.08 14.06 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.77 -71.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.97 -63.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.592 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -176.71 169.45 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' HD11 ' A' ' 15' ' ' ILE . 4.4 mt -91.12 172.41 6.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.482 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 21' ' ' LEU . 70.8 Cg_exo -51.38 168.17 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.361 2.04 . . . . 0.0 112.041 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -118.38 -16.15 9.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.474 -179.675 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.875 HG23 ' HE2' ' A' ' 23' ' ' LYS . 44.3 t -97.52 128.26 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.665 0.269 . . . . 0.0 110.392 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 29' ' ' ILE . 36.8 tt0 -44.01 -46.14 8.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.0 -179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.23 -38.19 89.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -73.73 -34.92 64.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.014 0.435 . . . . 0.0 110.289 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.557 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.7 t80 -69.71 -48.34 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 25' ' ' GLU . 79.8 mt -60.07 -40.9 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -67.34 -40.57 85.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.463 ' CZ ' ' HE2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -68.64 -51.31 43.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.463 -179.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.824 HG13 ' HE3' ' A' ' 11' ' ' MET . 23.5 t -66.31 -45.5 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.974 0.416 . . . . 0.0 111.53 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' HD2' HG22 ' A' ' 39' ' ' THR . 14.3 ttpt -63.28 -37.01 85.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.804 -179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -78.31 -39.16 40.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.37 -42.22 23.27 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.855 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.6 m-85 -112.18 13.02 20.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -178.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER 54.25 22.88 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.547 0.213 . . . . 0.0 111.452 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' SD ' HD13 ' A' ' 7' ' ' ILE . 23.3 mmt -68.45 79.45 0.26 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.901 0.381 . . . . 0.0 110.62 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.51 HG22 ' HD2' ' A' ' 33' ' ' LYS . 15.8 p -97.46 3.2 50.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.628 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.91 125.54 33.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.681 0.277 . . . . 0.0 110.412 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -54.19 -33.72 58.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.351 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.79 -46.42 68.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 45.9 mt -67.99 -41.15 84.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.422 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -44.84 80.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.282 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -41.97 89.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.538 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD21 HG13 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -64.84 -37.23 86.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.343 179.787 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -70.28 -40.01 74.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.616 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.23 -36.99 81.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.546 ' CZ2' HD13 ' A' ' 54' ' ' LEU . 41.4 t90 -66.88 -42.72 85.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.802 178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HG3' ' CD2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -60.94 -39.12 88.25 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.621 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -70.17 -30.61 67.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.734 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.79 -11.32 34.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.322 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.734 HD21 ' CD1' ' A' ' 15' ' ' ILE . 6.3 tp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.55 -160.82 14.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.3 m 63.53 126.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG22 HD21 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -67.17 -37.28 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 0.0 110.709 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -59.12 -40.84 86.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.0 -45.04 96.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.828 HG23 ' CG ' ' A' ' 36' ' ' PHE . 70.7 mt -63.87 -43.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -62.69 -45.27 93.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.487 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.47 87.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.76 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 36' ' ' PHE . 4.6 tmtt? -64.37 -47.29 79.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.625 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.862 ' HG2' HD21 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -62.58 -41.39 98.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 179.559 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -65.63 -36.88 84.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.463 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.26 -47.21 77.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.6 m -63.8 -40.64 97.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.319 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.899 HD11 HD13 ' A' ' 21' ' ' LEU . 6.2 mm -67.78 -43.18 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.675 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.22 -30.56 70.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.919 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -92.31 14.1 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.28 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.46 71.18 1.01 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -149.54 173.99 29.18 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.542 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.88 133.51 14.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.856 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.899 HD13 HD11 ' A' ' 15' ' ' ILE . 10.0 mp -93.37 163.42 24.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 31.7 Cg_exo -58.35 176.58 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.571 2.181 . . . . 0.0 112.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.829 ' HE3' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -127.15 -14.38 5.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.727 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.829 HG23 ' HE3' ' A' ' 23' ' ' LYS . 59.1 t -104.88 122.93 58.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.779 0.323 . . . . 0.0 110.498 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' HG2' HD11 ' A' ' 29' ' ' ILE . 17.9 tt0 -38.33 -46.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.272 -179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.09 89.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 111.226 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.219 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.834 ' O ' HG23 ' A' ' 32' ' ' VAL . 91.6 t80 -69.51 -44.73 70.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.836 178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.496 HD11 ' HG2' ' A' ' 25' ' ' GLU . 18.6 mt -61.57 -43.01 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.079 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -68.66 -39.23 80.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.141 0.496 . . . . 0.0 110.264 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -62.78 -51.21 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.008 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 28' ' ' PHE . 12.2 t -66.4 -42.28 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.648 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 2.9 mttt -55.93 -39.24 71.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.011 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 35' ' ' CYS . 1.5 p-10 -78.51 -42.16 30.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.426 ' N ' ' ND2' ' A' ' 34' ' ' ASN . 1.8 t -80.66 -42.69 21.64 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.828 ' CG ' HG23 ' A' ' 7' ' ' ILE . 37.4 m-85 -112.52 -5.34 14.04 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER 55.43 24.87 7.09 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.327 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.491 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 1.3 tpt -74.45 84.25 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.889 0.376 . . . . 0.0 110.474 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.36 9.95 24.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.775 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -85.98 124.35 32.33 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -57.41 -33.98 68.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.747 0.308 . . . . 0.0 111.232 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -68.98 -46.48 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.021 0.439 . . . . 0.0 110.603 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.509 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -67.86 -37.13 81.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.739 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CG2' HG12 ' A' ' 29' ' ' ILE . 23.0 mt -67.08 -44.29 88.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.287 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -62.64 -43.48 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.073 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -68.51 -41.23 80.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.298 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 43' ' ' ALA . 2.6 mm? -65.85 -37.52 86.4 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.371 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HA ' ' CE2' ' A' ' 28' ' ' PHE . 7.4 t-105 -70.32 -42.38 72.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.732 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.7 -32.71 73.86 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.377 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.601 ' CZ3' HD22 ' A' ' 54' ' ' LEU . 90.2 t90 -68.05 -44.29 76.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.151 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HG3' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -64.02 -39.56 94.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.953 0.406 . . . . 0.0 110.601 179.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -70.49 -30.49 67.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.8 t -90.55 -13.39 34.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.296 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 50' ' ' TRP . 31.6 tp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.91 134.86 11.55 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -99.43 154.72 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 ' CD2' ' A' ' 47' ' ' LEU . 76.6 t -65.52 -35.8 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -43.32 98.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.703 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -44.98 68.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.797 HG23 ' CD1' ' A' ' 36' ' ' PHE . 19.6 mt -60.94 -42.14 91.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.577 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.635 ' CD ' HG12 ' A' ' 4' ' ' VAL . 3.2 mtpm? -65.97 -45.41 81.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.567 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.03 98.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -63.51 -47.37 81.97 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.72 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.833 ' HE1' HG22 ' A' ' 32' ' ' VAL . 3.1 mtt -61.15 -41.71 97.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.07 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -60.39 -40.88 92.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.698 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.51 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.799 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -61.04 -36.14 78.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.902 178.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 21' ' ' LEU . 2.5 mt -64.54 -43.23 96.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.177 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -70.09 -28.78 65.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -90.56 14.07 14.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.337 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.48 57.91 0.66 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.62 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.17 -157.01 9.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t 179.39 -35.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.725 0.298 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD22 ' CZ ' ' A' ' 31' ' ' TYR . 23.9 mt 65.57 151.56 0.12 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.72 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 31' ' ' TYR . 38.8 Cg_exo -60.37 172.77 2.36 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.58 2.187 . . . . 0.0 112.207 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HE2' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -125.54 -14.52 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.597 -179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.886 HG23 ' HE2' ' A' ' 23' ' ' LYS . 43.1 t -96.71 126.6 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.623 0.249 . . . . 0.0 110.439 179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -38.48 -46.08 1.12 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.927 -179.212 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.17 -38.29 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -72.79 -35.06 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.097 0.475 . . . . 0.0 110.348 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' O ' HG23 ' A' ' 32' ' ' VAL . 92.6 t80 -69.43 -48.08 62.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.701 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.72 HG12 HG23 ' A' ' 44' ' ' ILE . 97.6 mt -59.76 -41.96 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.348 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -65.25 -40.54 94.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.826 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' CZ ' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -68.68 -51.39 42.31 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.465 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.4 t -66.59 -45.44 88.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.928 0.394 . . . . 0.0 111.544 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.759 ' HD2' HG23 ' A' ' 39' ' ' THR . 22.8 ttpt -65.93 -36.58 83.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.565 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -78.38 -38.91 40.62 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.2 m -80.31 -42.18 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.797 ' CD1' HG23 ' A' ' 7' ' ' ILE . 7.4 m-85 -111.55 13.09 21.34 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 1.1 mmt85 52.26 24.36 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.623 0.249 . . . . 0.0 111.537 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.539 ' CE ' ' HB1' ' A' ' 43' ' ' ALA . 2.6 mmt -73.27 78.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.885 0.374 . . . . 0.0 110.621 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.759 HG23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.36 9.79 36.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.751 -179.544 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.84 128.6 34.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.693 0.283 . . . . 0.0 110.433 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -34.08 68.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.762 0.315 . . . . 0.0 110.943 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.83 -46.22 69.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.454 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HB1' ' CE ' ' A' ' 38' ' ' MET . . . -67.17 -36.45 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.45 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.72 HG23 HG12 ' A' ' 29' ' ' ILE . 82.5 mt -66.74 -42.27 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.413 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.05 -41.05 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.556 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.85 -44.28 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.695 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 ' CD2' HG13 ' A' ' 4' ' ' VAL . 1.4 mm? -64.92 -37.38 87.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 25' ' ' GLU . 5.6 t-105 -70.29 -43.15 71.0 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.815 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -33.67 73.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.412 178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CE2' HD13 ' A' ' 54' ' ' LEU . 34.2 t90 -68.06 -44.21 76.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.021 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' HG3' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -64.88 -35.16 80.24 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.975 0.417 . . . . 0.0 110.721 179.412 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -70.4 -30.43 67.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 t -96.16 -12.98 23.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 50' ' ' TRP . 10.8 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.82 -159.53 26.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.35 175.49 10.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.313 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 7' ' ' ILE . 1.3 p -67.01 -37.54 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.059 0.457 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -57.91 -41.01 81.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.841 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.15 -40.4 97.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.815 HG23 ' CD2' ' A' ' 36' ' ' PHE . 57.0 mt -65.0 -42.92 95.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.816 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -64.46 -42.4 95.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.18 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -47.31 83.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.938 0.399 . . . . 0.0 110.599 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 32' ' ' VAL . 4.4 mtt -61.38 -41.49 97.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.144 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -45.11 90.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.772 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.78 -42.7 89.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.673 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 m -64.42 -35.67 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.982 178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 mt -63.76 -43.14 97.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.365 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.97 -35.99 74.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.781 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.24 14.05 25.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.73 -60.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.81 -82.29 0.15 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.539 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.9 m -145.51 -176.65 5.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.573 ' CD1' HD11 ' A' ' 15' ' ' ILE . 48.1 mt -119.34 161.99 34.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.72 117.42 1.78 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.675 2.25 . . . . 0.0 112.443 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.83 ' CE ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -79.1 -0.5 31.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.647 -179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.83 HG23 ' CE ' ' A' ' 23' ' ' LYS . 74.5 t -105.65 138.41 30.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -59.08 -42.88 91.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.274 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG12 ' A' ' 24' ' ' VAL . . . -68.2 -38.35 81.86 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 111.602 -179.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -74.62 -34.62 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.157 0.503 . . . . 0.0 110.009 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.646 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.9 t80 -69.38 -48.33 61.54 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.551 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.1 -42.01 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.044 179.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -65.14 -40.49 94.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.41 -47.25 67.76 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.321 -179.616 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 11' ' ' MET . 21.7 t -66.27 -45.21 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.44 . . . . 0.0 111.174 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 15.0 mtpt -62.59 -33.56 75.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.666 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.64 -45.11 26.03 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 58.0 m -80.67 -42.52 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.815 ' CD2' HG23 ' A' ' 7' ' ' ILE . 2.3 m-85 -112.4 -5.18 14.12 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.614 ' HA ' ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER 60.84 31.06 20.02 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.06 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.64 ' HB2' HG12 ' A' ' 32' ' ' VAL . 31.6 mmt -71.93 76.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.554 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.12 7.19 41.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.706 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -85.88 126.03 33.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.95 -33.85 58.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.993 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -68.74 -46.24 69.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.012 0.434 . . . . 0.0 110.471 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 47' ' ' LEU . . . -65.77 -41.55 91.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.861 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.3 mt -66.26 -43.33 91.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.57 -43.35 97.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 110.388 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -69.66 -43.19 73.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 28' ' ' PHE . 1.4 mm? -64.95 -37.2 86.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.426 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.424 ' HE3' ' HA ' ' A' ' 48' ' ' TRP . 6.9 t-105 -70.0 -42.99 72.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.753 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -62.61 -32.31 73.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.422 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -68.01 -44.36 76.71 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.24 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' HG3' ' CE2' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -68.46 -37.54 80.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 179.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.43 -30.48 67.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.645 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -95.86 -11.15 27.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.562 179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 stop_ save_